N-[4-[(1-hydroxycyclohexyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide

C16H30N2O3 — CID 64868947

IUPACN-[4-[(1-hydroxycyclohexyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCCC(=O)NCC1(O)CCCCC1
InChIInChI=1S/C16H30N2O3/c1-15(2,3)14(20)17-11-7-8-13(19)18-12-16(21)9-5-4-6-10-16/h21H,4-12H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyAEWWQEWZOZYCKR-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.74
Rot. Bonds6

About N-[4-[(1-hydroxycyclohexyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide

N-[4-[(1-hydroxycyclohexyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide (PubChem CID 64868947) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is N-[4-[(1-hydroxycyclohexyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[(1-hydroxycyclohexyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide
PubChem CID64868947
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC NameN-[4-[(1-hydroxycyclohexyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCCC(=O)NCC1(O)CCCCC1
InChIInChI=1S/C16H30N2O3/c1-15(2,3)14(20)17-11-7-8-13(19)18-12-16(21)9-5-4-6-10-16/h21H,4-12H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyAEWWQEWZOZYCKR-UHFFFAOYSA-N
XLogP1.74
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.74
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

N'-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-N-ethylbutanediamide
CID 75407586
1-[(1-hydroxy-4-methylcyclohexyl)methyl]-N-propylpiperidine-4-carboxamide
CID 75534797
4,4,4-trifluoro-N-[(1-hydroxycyclohexyl)methyl]butanamide
CID 65711381
N-[1-(1-hydroxycyclohexyl)ethyl]acetamide
CID 298852
N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 46222403
CID 57585177
CID 57585177
N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 58767519
N-[(1-hydroxycyclohexyl)methyl]propanamide
CID 64866984
N-[(1-hydroxycyclohexyl)methyl]-3-methylbutanamide
CID 64868494
N-[(1-hydroxycyclohexyl)methyl]piperidine-4-carboxamide
CID 65106374
N-[(1S,2S)-2-hydroxy-2-methylcyclohexyl]-2-methylpropanamide
CID 137457229
N-[(1R,2R)-2-hydroxy-2-methylcyclohexyl]-2-methylpropanamide
CID 137457353

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-hydroxycyclohexyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-[(1-hydroxycyclohexyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide (CID 64868947) is N-[4-[(1-hydroxycyclohexyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[(1-hydroxycyclohexyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-[(1-hydroxycyclohexyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCCC(=O)NCC1(O)CCCCC1.
What is the InChIKey of N-[4-[(1-hydroxycyclohexyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide?
The InChIKey is AEWWQEWZOZYCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-15(2,3)14(20)17-11-7-8-13(19)18-12-16(21)9-5-4-6-10-16/h21H,4-12H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of N-[4-[(1-hydroxycyclohexyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide?
N-[4-[(1-hydroxycyclohexyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide has a molecular weight of 298.43 g/mol, XLogP of 1.74, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-hydroxycyclohexyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 64868947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).