2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N-(3-methoxypropyl)propanamide

C15H30N2O3 — CID 103966438

IUPAC2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)NCC1(CO)CCCCC1
InChIInChI=1S/C15H30N2O3/c1-13(14(19)16-9-6-10-20-2)17-11-15(12-18)7-4-3-5-8-15/h13,17-18H,3-12H2,1-2H3,(H,16,19)
InChIKeyZLOMEWLVFNLKRB-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.06
Rot. Bonds9

About 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N-(3-methoxypropyl)propanamide

2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N-(3-methoxypropyl)propanamide (PubChem CID 103966438) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N-(3-methoxypropyl)propanamide
PubChem CID103966438
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)NCC1(CO)CCCCC1
InChIInChI=1S/C15H30N2O3/c1-13(14(19)16-9-6-10-20-2)17-11-15(12-18)7-4-3-5-8-15/h13,17-18H,3-12H2,1-2H3,(H,16,19)
InChIKeyZLOMEWLVFNLKRB-UHFFFAOYSA-N
XLogP1.06
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-pentylpropanamide
CID 115359404
N-(3-methoxypropyl)-2-[(1-methylcyclopropyl)methylamino]propanamide
CID 103724771
2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-(2-methylpropyl)propanamide
CID 113293813
2-[(1-hydroxycycloheptyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 65123309
2-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-5-methoxypentanamide
CID 103966706
methyl 3-[[1-(3-methoxypropylamino)-1-oxopropan-2-yl]amino]propanoate
CID 60719502
N-(3-methoxypropyl)-2-[(4-methyloxan-4-yl)methylamino]propanamide
CID 103742237
2-[(1-hydroxycyclopentyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 65109266
2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-(3-methoxypropyl)propanamide
CID 107163797
2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-pentan-3-ylpropanamide
CID 115359406
2-[(1-cyclopropylcyclopropyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 114095883
2-(2-cyclopentyloxyethylamino)-N-(3-methoxypropyl)propanamide
CID 55259532

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N-(3-methoxypropyl)propanamide?
The IUPAC name of 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N-(3-methoxypropyl)propanamide (CID 103966438) is 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N-(3-methoxypropyl)propanamide is COCCCNC(=O)C(C)NCC1(CO)CCCCC1.
What is the InChIKey of 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N-(3-methoxypropyl)propanamide?
The InChIKey is ZLOMEWLVFNLKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-13(14(19)16-9-6-10-20-2)17-11-15(12-18)7-4-3-5-8-15/h13,17-18H,3-12H2,1-2H3,(H,16,19).
What are the key properties of 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N-(3-methoxypropyl)propanamide?
2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N-(3-methoxypropyl)propanamide has a molecular weight of 286.42 g/mol, XLogP of 1.06, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 103966438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).