N-[4-[(4-hydroxycyclohexyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide

C15H28N2O3 — CID 43394652

IUPACN-[4-[(4-hydroxycyclohexyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCCC(=O)NC1CCC(O)CC1
InChIInChI=1S/C15H28N2O3/c1-15(2,3)14(20)16-10-4-5-13(19)17-11-6-8-12(18)9-7-11/h11-12,18H,4-10H2,1-3H3,(H,16,20)(H,17,19)
InChIKeyULUUFXZZJDKVQX-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.35
Rot. Bonds5

About N-[4-[(4-hydroxycyclohexyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide

N-[4-[(4-hydroxycyclohexyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide (PubChem CID 43394652) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[4-[(4-hydroxycyclohexyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[(4-hydroxycyclohexyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide
PubChem CID43394652
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC NameN-[4-[(4-hydroxycyclohexyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCCC(=O)NC1CCC(O)CC1
InChIInChI=1S/C15H28N2O3/c1-15(2,3)14(20)16-10-4-5-13(19)17-11-6-8-12(18)9-7-11/h11-12,18H,4-10H2,1-3H3,(H,16,20)(H,17,19)
InChIKeyULUUFXZZJDKVQX-UHFFFAOYSA-N
XLogP1.35
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cis-(1S,3R)-3-[4-(2,2-dimethylpropanoylamino)butanoylamino]cyclopentane-1-carboxylic acid
CID 120676639
2,2-dimethyl-N-[4-oxo-4-(piperidin-3-ylamino)butyl]propanamide
CID 119426962
N-[4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 55706617
6-[(4-hydroxycyclohexyl)amino]-6-oxohexanoic acid
CID 54867773
4-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpentanamide
CID 79401456
N-cyclopropyl-4-(methylcarbamoylamino)butanamide
CID 115582642
N-(4-hydroxycyclohexyl)dodecanamide
CID 61380713
N-[3-(cyclopropylamino)propyl]-2,2-dimethylpropanamide
CID 43596452
4-(carbamoylamino)-N-cyclopropylbutanamide
CID 78907158
N-cyclopropyl-4-[[2-(methylamino)acetyl]amino]butanamide
CID 79400929
6-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-4,4-dimethylhexanamide
CID 79401305
N-[4-(cyclopropylamino)-4-oxobutyl]cyclopropanecarboxamide
CID 84505349

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-hydroxycyclohexyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-[(4-hydroxycyclohexyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide (CID 43394652) is N-[4-[(4-hydroxycyclohexyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[(4-hydroxycyclohexyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-[(4-hydroxycyclohexyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCCC(=O)NC1CCC(O)CC1.
What is the InChIKey of N-[4-[(4-hydroxycyclohexyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide?
The InChIKey is ULUUFXZZJDKVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-15(2,3)14(20)16-10-4-5-13(19)17-11-6-8-12(18)9-7-11/h11-12,18H,4-10H2,1-3H3,(H,16,20)(H,17,19).
What are the key properties of N-[4-[(4-hydroxycyclohexyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide?
N-[4-[(4-hydroxycyclohexyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide has a molecular weight of 284.40 g/mol, XLogP of 1.35, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-hydroxycyclohexyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 43394652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).