2-[(2-hydroxycyclohexyl)methylamino]-N-(3-methoxypropyl)propanamide

C14H28N2O3 — CID 64913690

IUPAC2-[(2-hydroxycyclohexyl)methylamino]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)NCC1CCCCC1O
InChIInChI=1S/C14H28N2O3/c1-11(14(18)15-8-5-9-19-2)16-10-12-6-3-4-7-13(12)17/h11-13,16-17H,3-10H2,1-2H3,(H,15,18)
InChIKeyXZYAJHQBTODFQP-UHFFFAOYSA-N
MW272.39 g/mol
LogP0.67
Rot. Bonds8

About 2-[(2-hydroxycyclohexyl)methylamino]-N-(3-methoxypropyl)propanamide

2-[(2-hydroxycyclohexyl)methylamino]-N-(3-methoxypropyl)propanamide (PubChem CID 64913690) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-[(2-hydroxycyclohexyl)methylamino]-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name2-[(2-hydroxycyclohexyl)methylamino]-N-(3-methoxypropyl)propanamide
PubChem CID64913690
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name2-[(2-hydroxycyclohexyl)methylamino]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)NCC1CCCCC1O
InChIInChI=1S/C14H28N2O3/c1-11(14(18)15-8-5-9-19-2)16-10-12-6-3-4-7-13(12)17/h11-13,16-17H,3-10H2,1-2H3,(H,15,18)
InChIKeyXZYAJHQBTODFQP-UHFFFAOYSA-N
XLogP0.67
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(2-hydroxycyclohexyl)methylamino]-N-(3-methoxypropyl)propanamide 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-methoxypropyl)-2-[(2-methylcyclohexyl)methylamino]propanamide
CID 55013493
N-butyl-2-[(2-hydroxycyclohexyl)methylamino]propanamide
CID 64913889
N-(3-methoxypropyl)-2-[(4-methylcyclohexyl)methylamino]propanamide
CID 61490757
(2S)-N-cyclopentyl-2-[[(1S,2S)-2-hydroxycyclohexyl]methylamino]propanamide
CID 97046649
N-cyclopropyl-2-[(2-hydroxycyclohexyl)methylamino]propanamide
CID 64913669
2-(2-cyclopentyloxyethylamino)-N-(3-methoxypropyl)propanamide
CID 55259532
2-[[(1S)-1-cyclopentylethyl]amino]-N-(3-methoxypropyl)propanamide
CID 81395208
2-[[(1R)-1-cyclopentylethyl]amino]-N-(3-methoxypropyl)propanamide
CID 81394890
2-[(2-hydroxycyclohexyl)methylamino]-3-methoxypropanoic acid
CID 103254110
N-(3-methoxypropyl)-2-[2-(oxan-2-yl)ethylamino]propanamide
CID 103983559
2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-N-(2-methoxyethyl)propanamide
CID 102731613
N-(3-methoxypropyl)-2-(3-propoxypropylamino)propanamide
CID 82943912

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxycyclohexyl)methylamino]-N-(3-methoxypropyl)propanamide?
The IUPAC name of 2-[(2-hydroxycyclohexyl)methylamino]-N-(3-methoxypropyl)propanamide (CID 64913690) is 2-[(2-hydroxycyclohexyl)methylamino]-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 2-[(2-hydroxycyclohexyl)methylamino]-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 2-[(2-hydroxycyclohexyl)methylamino]-N-(3-methoxypropyl)propanamide is COCCCNC(=O)C(C)NCC1CCCCC1O.
What is the InChIKey of 2-[(2-hydroxycyclohexyl)methylamino]-N-(3-methoxypropyl)propanamide?
The InChIKey is XZYAJHQBTODFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-11(14(18)15-8-5-9-19-2)16-10-12-6-3-4-7-13(12)17/h11-13,16-17H,3-10H2,1-2H3,(H,15,18).
What are the key properties of 2-[(2-hydroxycyclohexyl)methylamino]-N-(3-methoxypropyl)propanamide?
2-[(2-hydroxycyclohexyl)methylamino]-N-(3-methoxypropyl)propanamide has a molecular weight of 272.39 g/mol, XLogP of 0.67, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxycyclohexyl)methylamino]-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 64913690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).