3-(cycloheptylamino)-N-(3-methoxypropyl)propanamide

C14H28N2O2 — CID 109015383

IUPAC3-(cycloheptylamino)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)CCNC1CCCCCC1
InChIInChI=1S/C14H28N2O2/c1-18-12-6-10-16-14(17)9-11-15-13-7-4-2-3-5-8-13/h13,15H,2-12H2,1H3,(H,16,17)
InChIKeyKRBRCQSBTUKGPJ-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.84
Rot. Bonds8

About 3-(cycloheptylamino)-N-(3-methoxypropyl)propanamide

3-(cycloheptylamino)-N-(3-methoxypropyl)propanamide (PubChem CID 109015383) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-(cycloheptylamino)-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name3-(cycloheptylamino)-N-(3-methoxypropyl)propanamide
PubChem CID109015383
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name3-(cycloheptylamino)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)CCNC1CCCCCC1
InChIInChI=1S/C14H28N2O2/c1-18-12-6-10-16-14(17)9-11-15-13-7-4-2-3-5-8-13/h13,15H,2-12H2,1H3,(H,16,17)
InChIKeyKRBRCQSBTUKGPJ-UHFFFAOYSA-N
XLogP1.84
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(cycloheptylamino)-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-butyl-3-(cyclopentylamino)propanamide
CID 109012177
N'-cyclohexyl-N-(3-methoxypropyl)propanediamide
CID 108942501
3-(cycloheptylamino)-N-[3-(dimethylamino)propyl]propanamide
CID 109016915
2-(cyclohexylcarbamoylamino)-N-(3-methoxypropyl)acetamide
CID 47318586
N-(2-cyclohexyloxyethyl)-3-(cyclopropylamino)propanamide
CID 63827585
N-[2-(cycloheptylamino)ethyl]-2-(2-methoxyethoxy)acetamide;hydrochloride
CID 119620939
N-[2-(cycloheptylamino)ethyl]-4-ethoxybutanamide;hydrochloride
CID 119619598
N-(5-methoxypentyl)cyclooctanamine
CID 115714847
2-[acetyl(cyclohexyl)amino]-N-(3-methoxypropyl)acetamide
CID 113159417
N-(2-methoxyethyl)cycloheptanamine
CID 22484521
N-(2-methoxyethyl)-3-[(3-methylcyclopentyl)amino]propanamide
CID 115652663
N'-cyclopropyl-N-(3-methoxypropyl)propanediamide
CID 108940973

Frequently Asked Questions

What is the IUPAC name of 3-(cycloheptylamino)-N-(3-methoxypropyl)propanamide?
The IUPAC name of 3-(cycloheptylamino)-N-(3-methoxypropyl)propanamide (CID 109015383) is 3-(cycloheptylamino)-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 3-(cycloheptylamino)-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 3-(cycloheptylamino)-N-(3-methoxypropyl)propanamide is COCCCNC(=O)CCNC1CCCCCC1.
What is the InChIKey of 3-(cycloheptylamino)-N-(3-methoxypropyl)propanamide?
The InChIKey is KRBRCQSBTUKGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-18-12-6-10-16-14(17)9-11-15-13-7-4-2-3-5-8-13/h13,15H,2-12H2,1H3,(H,16,17).
What are the key properties of 3-(cycloheptylamino)-N-(3-methoxypropyl)propanamide?
3-(cycloheptylamino)-N-(3-methoxypropyl)propanamide has a molecular weight of 256.39 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cycloheptylamino)-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 109015383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).