2-methylpropyl N-[3-[[5-(dipropylamino)-5-oxopentanoyl]amino]phenyl]carbamate

C22H35N3O4 — CID 56552310

IUPAC2-methylpropyl N-[3-[[5-(dipropylamino)-5-oxopentanoyl]amino]phenyl]carbamate
SMILESCCCN(CCC)C(=O)CCCC(=O)Nc1cccc(NC(=O)OCC(C)C)c1
InChIInChI=1S/C22H35N3O4/c1-5-13-25(14-6-2)21(27)12-8-11-20(26)23-18-9-7-10-19(15-18)24-22(28)29-16-17(3)4/h7,9-10,15,17H,5-6,8,11-14,16H2,1-4H3,(H,23,26)(H,24,28)
InChIKeyMZGKXFNIZDDPBP-UHFFFAOYSA-N
MW405.54 g/mol
LogP4.65
Rot. Bonds12

About 2-methylpropyl N-[3-[[5-(dipropylamino)-5-oxopentanoyl]amino]phenyl]carbamate

2-methylpropyl N-[3-[[5-(dipropylamino)-5-oxopentanoyl]amino]phenyl]carbamate (PubChem CID 56552310) has the molecular formula C22H35N3O4 and a molecular weight of 405.54 g/mol. Its IUPAC name is 2-methylpropyl N-[3-[[5-(dipropylamino)-5-oxopentanoyl]amino]phenyl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[3-[[5-(dipropylamino)-5-oxopentanoyl]amino]phenyl]carbamate
PubChem CID56552310
Molecular FormulaC22H35N3O4
Molecular Weight405.54 g/mol
Exact Mass405.26
IUPAC Name2-methylpropyl N-[3-[[5-(dipropylamino)-5-oxopentanoyl]amino]phenyl]carbamate
SMILESCCCN(CCC)C(=O)CCCC(=O)Nc1cccc(NC(=O)OCC(C)C)c1
InChIInChI=1S/C22H35N3O4/c1-5-13-25(14-6-2)21(27)12-8-11-20(26)23-18-9-7-10-19(15-18)24-22(28)29-16-17(3)4/h7,9-10,15,17H,5-6,8,11-14,16H2,1-4H3,(H,23,26)(H,24,28)
InChIKeyMZGKXFNIZDDPBP-UHFFFAOYSA-N
XLogP4.65
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methylpropyl N-[3-[[5-(dipropylamino)-5-oxopentanoyl]amino]phenyl]carbamate 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

N-(3-propoxyphenyl)-N',N'-dipropylpentanediamide
CID 56553165
2-methylpropyl N-[3-(methylamino)phenyl]carbamate
CID 71219513
2-methylpropyl N-(3-fluorophenyl)carbamate
CID 15908281
N-[3-chloro-4-(dimethylamino)phenyl]-N',N'-dipropylpentanediamide
CID 56540193
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
ethyl N-[3-(2-methylpropoxy)phenyl]carbamate
CID 60643144
N-(3-aminophenyl)-4-[2-(2-methylpropoxy)ethoxy]butanamide
CID 106446919
2-[3-(2-methylpropoxy)anilino]-N,N-dipropylacetamide
CID 54823859
N-[3-(butanoylamino)phenyl]-2-(2-methylpropoxy)benzamide
CID 17187605
N-[3-[[2-(dipropylamino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
CID 54831572
N',N'-dipropyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpentanediamide
CID 56538840
2-methylpropyl N-[3-[[2-(aminomethyl)-4-methylpiperazine-1-carbonyl]amino]phenyl]carbamate
CID 167783612

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[3-[[5-(dipropylamino)-5-oxopentanoyl]amino]phenyl]carbamate?
The IUPAC name of 2-methylpropyl N-[3-[[5-(dipropylamino)-5-oxopentanoyl]amino]phenyl]carbamate (CID 56552310) is 2-methylpropyl N-[3-[[5-(dipropylamino)-5-oxopentanoyl]amino]phenyl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[3-[[5-(dipropylamino)-5-oxopentanoyl]amino]phenyl]carbamate?
The canonical SMILES for 2-methylpropyl N-[3-[[5-(dipropylamino)-5-oxopentanoyl]amino]phenyl]carbamate is CCCN(CCC)C(=O)CCCC(=O)Nc1cccc(NC(=O)OCC(C)C)c1.
What is the InChIKey of 2-methylpropyl N-[3-[[5-(dipropylamino)-5-oxopentanoyl]amino]phenyl]carbamate?
The InChIKey is MZGKXFNIZDDPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O4/c1-5-13-25(14-6-2)21(27)12-8-11-20(26)23-18-9-7-10-19(15-18)24-22(28)29-16-17(3)4/h7,9-10,15,17H,5-6,8,11-14,16H2,1-4H3,(H,23,26)(H,24,28).
What are the key properties of 2-methylpropyl N-[3-[[5-(dipropylamino)-5-oxopentanoyl]amino]phenyl]carbamate?
2-methylpropyl N-[3-[[5-(dipropylamino)-5-oxopentanoyl]amino]phenyl]carbamate has a molecular weight of 405.54 g/mol, XLogP of 4.65, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[3-[[5-(dipropylamino)-5-oxopentanoyl]amino]phenyl]carbamate is sourced from PubChem (CID 56552310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).