N-[5-[(1-cyclobutyl-3,4-dioxobutan-2-yl)amino]-4-methylhex-5-enyl]-N,4,4-trimethyl-3-(methylcarbamoylamino)pentanamide

C25H44N4O4 — CID 143359670

IUPACN-[5-[(1-cyclobutyl-3,4-dioxobutan-2-yl)amino]-4-methylhex-5-enyl]-N,4,4-trimethyl-3-(methylcarbamoylamino)pentanamide
SMILESC=C(NC(CC1CCC1)C(=O)C=O)C(C)CCCN(C)C(=O)CC(NC(=O)NC)C(C)(C)C
InChIInChI=1S/C25H44N4O4/c1-17(18(2)27-20(21(31)16-30)14-19-11-8-12-19)10-9-13-29(7)23(32)15-22(25(3,4)5)28-24(33)26-6/h16-17,19-20,22,27H,2,8-15H2,1,3-7H3,(H2,26,28,33)
InChIKeyCSACDSVXZCCSBC-UHFFFAOYSA-N
MW464.65 g/mol
LogP3.03
Rot. Bonds14

About N-[5-[(1-cyclobutyl-3,4-dioxobutan-2-yl)amino]-4-methylhex-5-enyl]-N,4,4-trimethyl-3-(methylcarbamoylamino)pentanamide

N-[5-[(1-cyclobutyl-3,4-dioxobutan-2-yl)amino]-4-methylhex-5-enyl]-N,4,4-trimethyl-3-(methylcarbamoylamino)pentanamide (PubChem CID 143359670) has the molecular formula C25H44N4O4 and a molecular weight of 464.65 g/mol. Its IUPAC name is N-[5-[(1-cyclobutyl-3,4-dioxobutan-2-yl)amino]-4-methylhex-5-enyl]-N,4,4-trimethyl-3-(methylcarbamoylamino)pentanamide.

Molecular Properties

Compound NameN-[5-[(1-cyclobutyl-3,4-dioxobutan-2-yl)amino]-4-methylhex-5-enyl]-N,4,4-trimethyl-3-(methylcarbamoylamino)pentanamide
PubChem CID143359670
Molecular FormulaC25H44N4O4
Molecular Weight464.65 g/mol
Exact Mass464.34
IUPAC NameN-[5-[(1-cyclobutyl-3,4-dioxobutan-2-yl)amino]-4-methylhex-5-enyl]-N,4,4-trimethyl-3-(methylcarbamoylamino)pentanamide
SMILESC=C(NC(CC1CCC1)C(=O)C=O)C(C)CCCN(C)C(=O)CC(NC(=O)NC)C(C)(C)C
InChIInChI=1S/C25H44N4O4/c1-17(18(2)27-20(21(31)16-30)14-19-11-8-12-19)10-9-13-29(7)23(32)15-22(25(3,4)5)28-24(33)26-6/h16-17,19-20,22,27H,2,8-15H2,1,3-7H3,(H2,26,28,33)
InChIKeyCSACDSVXZCCSBC-UHFFFAOYSA-N
XLogP3.03
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.65
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-[5-[(1-cyclobutyl-3,4-dioxobutan-2-yl)amino]-4-methylhex-5-enyl]-N,4,4-trimethyl-3-(methylcarbamoylamino)pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(cyclobutylmethyl)-3-methylidenehex-1-en-2-amine;N,3-dimethylbut-1-en-2-amine;N-[[(1S,3R)-2,2-dimethyl-3-(3-methylbut-3-en-2-yl)cyclopropyl]methyl]-N,4,4-trimethyl-3-[1-(2,3,3-trimethylbutylamino)ethenylamino]pentanamide;ethane
CID 143362551
1-[3,3-dimethyl-2-(methylcarbamoylamino)butanoyl]-N-(1,2-dioxohept-6-en-3-yl)pyrrolidine-2-carboxamide
CID 143353105
4-cyclopropyl-3-[1-[(1S,5R)-3-[4,4-dimethyl-3-(methylcarbamoylamino)pentanoyl]-3-azabicyclo[3.1.0]hexan-2-yl]ethenylamino]-2-methylidenebutanamide
CID 143105139
N-(1-cyclobutyl-3-oxobutan-2-yl)formamide;N-cyclopropylformamide;1-(2,2-dimethyl-4-oxopentan-3-yl)-3-methylurea;5-methylnonane;propane
CID 143361565
2-methyl-4-[methyl(4-methylpentyl)amino]-4-oxobutanoic acid
CID 115165193
N-(3-amino-4-methylpentyl)-N-methyl-2-(3-methylcyclohexyl)acetamide;hydrochloride
CID 119659726
N-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]-2-methyl-3-(methylamino)propanamide
CID 119888442
(3S)-N-(1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[3-cyclohexyl-3-(3,4-dimethylpentanoylamino)prop-1-en-2-yl]-3-methylpyrrolidine-2-carboxamide
CID 142109998
(2S,3R)-1-[(2S)-2-[[(2S)-1-[acetyl(methyl)amino]-3,3-dimethylbutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-3-propan-2-ylpyrrolidine-2-carboxamide
CID 152960481
N-(3-aminopropyl)-2-cycloheptyl-N-methylacetamide
CID 115737510
2-(1-cyclobutylpropan-2-ylamino)-N,N,2-trimethylpropanamide
CID 115920238
tert-butyl N-[3-cyclobutyl-1-(dimethylamino)-1-oxopropan-2-yl]carbamate
CID 58987170

Frequently Asked Questions

What is the IUPAC name of N-[5-[(1-cyclobutyl-3,4-dioxobutan-2-yl)amino]-4-methylhex-5-enyl]-N,4,4-trimethyl-3-(methylcarbamoylamino)pentanamide?
The IUPAC name of N-[5-[(1-cyclobutyl-3,4-dioxobutan-2-yl)amino]-4-methylhex-5-enyl]-N,4,4-trimethyl-3-(methylcarbamoylamino)pentanamide (CID 143359670) is N-[5-[(1-cyclobutyl-3,4-dioxobutan-2-yl)amino]-4-methylhex-5-enyl]-N,4,4-trimethyl-3-(methylcarbamoylamino)pentanamide.
What is the SMILES notation for N-[5-[(1-cyclobutyl-3,4-dioxobutan-2-yl)amino]-4-methylhex-5-enyl]-N,4,4-trimethyl-3-(methylcarbamoylamino)pentanamide?
The canonical SMILES for N-[5-[(1-cyclobutyl-3,4-dioxobutan-2-yl)amino]-4-methylhex-5-enyl]-N,4,4-trimethyl-3-(methylcarbamoylamino)pentanamide is C=C(NC(CC1CCC1)C(=O)C=O)C(C)CCCN(C)C(=O)CC(NC(=O)NC)C(C)(C)C.
What is the InChIKey of N-[5-[(1-cyclobutyl-3,4-dioxobutan-2-yl)amino]-4-methylhex-5-enyl]-N,4,4-trimethyl-3-(methylcarbamoylamino)pentanamide?
The InChIKey is CSACDSVXZCCSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44N4O4/c1-17(18(2)27-20(21(31)16-30)14-19-11-8-12-19)10-9-13-29(7)23(32)15-22(25(3,4)5)28-24(33)26-6/h16-17,19-20,22,27H,2,8-15H2,1,3-7H3,(H2,26,28,33).
What are the key properties of N-[5-[(1-cyclobutyl-3,4-dioxobutan-2-yl)amino]-4-methylhex-5-enyl]-N,4,4-trimethyl-3-(methylcarbamoylamino)pentanamide?
N-[5-[(1-cyclobutyl-3,4-dioxobutan-2-yl)amino]-4-methylhex-5-enyl]-N,4,4-trimethyl-3-(methylcarbamoylamino)pentanamide has a molecular weight of 464.65 g/mol, XLogP of 3.03, 14 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1-cyclobutyl-3,4-dioxobutan-2-yl)amino]-4-methylhex-5-enyl]-N,4,4-trimethyl-3-(methylcarbamoylamino)pentanamide is sourced from PubChem (CID 143359670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).