N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(propylamino)acetamide

C14H28N2O2 — CID 65120371

IUPACN-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(propylamino)acetamide
SMILESCCCNCC(=O)NCC1(O)CCC(C)(C)CC1
InChIInChI=1S/C14H28N2O2/c1-4-9-15-10-12(17)16-11-14(18)7-5-13(2,3)6-8-14/h15,18H,4-11H2,1-3H3,(H,16,17)
InChIKeyCDMQGVNVRDMBSR-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.43
Rot. Bonds6

About N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(propylamino)acetamide

N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(propylamino)acetamide (PubChem CID 65120371) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(propylamino)acetamide.

Molecular Properties

Compound NameN-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(propylamino)acetamide
PubChem CID65120371
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(propylamino)acetamide
SMILESCCCNCC(=O)NCC1(O)CCC(C)(C)CC1
InChIInChI=1S/C14H28N2O2/c1-4-9-15-10-12(17)16-11-14(18)7-5-13(2,3)6-8-14/h15,18H,4-11H2,1-3H3,(H,16,17)
InChIKeyCDMQGVNVRDMBSR-UHFFFAOYSA-N
XLogP1.43
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(propylamino)acetamide 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-[(1-hydroxycyclopentyl)methyl]-2-(propylamino)acetamide
CID 65106366
1-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-propylurea
CID 65121622
N-[(1-methylcyclopentyl)methyl]-2-(propylamino)acetamide
CID 63829967
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]hexanamide
CID 65118984
3-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-3-oxopropanoic acid
CID 65123311
2-ethoxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]acetamide
CID 65119187
2-(cyanomethylsulfanyl)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]acetamide
CID 65119595
2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-N-(3-methoxypropyl)acetamide
CID 65120955
2-tert-butylsulfanyl-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]acetamide
CID 65119458
N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]butanamide
CID 111445246
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 79290845
3-(ethylamino)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]butanamide
CID 65120418

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(propylamino)acetamide?
The IUPAC name of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(propylamino)acetamide (CID 65120371) is N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(propylamino)acetamide.
What is the SMILES notation for N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(propylamino)acetamide?
The canonical SMILES for N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(propylamino)acetamide is CCCNCC(=O)NCC1(O)CCC(C)(C)CC1.
What is the InChIKey of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(propylamino)acetamide?
The InChIKey is CDMQGVNVRDMBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-4-9-15-10-12(17)16-11-14(18)7-5-13(2,3)6-8-14/h15,18H,4-11H2,1-3H3,(H,16,17).
What are the key properties of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(propylamino)acetamide?
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(propylamino)acetamide has a molecular weight of 256.39 g/mol, XLogP of 1.43, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(propylamino)acetamide is sourced from PubChem (CID 65120371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).