2-[[(1R)-1-cycloheptylethyl]amino]-N-pentylpropanamide

C17H34N2O — CID 81392391

IUPAC2-[[(1R)-1-cycloheptylethyl]amino]-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)N[C@H](C)C1CCCCCC1
InChIInChI=1S/C17H34N2O/c1-4-5-10-13-18-17(20)15(3)19-14(2)16-11-8-6-7-9-12-16/h14-16,19H,4-13H2,1-3H3,(H,18,20)/t14-,15?/m1/s1
InChIKeyIQVASEREDMXQSP-GICMACPYSA-N
MW282.47 g/mol
LogP3.63
Rot. Bonds8

About 2-[[(1R)-1-cycloheptylethyl]amino]-N-pentylpropanamide

2-[[(1R)-1-cycloheptylethyl]amino]-N-pentylpropanamide (PubChem CID 81392391) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 2-[[(1R)-1-cycloheptylethyl]amino]-N-pentylpropanamide.

Molecular Properties

Compound Name2-[[(1R)-1-cycloheptylethyl]amino]-N-pentylpropanamide
PubChem CID81392391
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name2-[[(1R)-1-cycloheptylethyl]amino]-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)N[C@H](C)C1CCCCCC1
InChIInChI=1S/C17H34N2O/c1-4-5-10-13-18-17(20)15(3)19-14(2)16-11-8-6-7-9-12-16/h14-16,19H,4-13H2,1-3H3,(H,18,20)/t14-,15?/m1/s1
InChIKeyIQVASEREDMXQSP-GICMACPYSA-N
XLogP3.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[[(1R)-1-cycloheptylethyl]amino]-N-pentylpropanamide 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

2-[[(1R)-1-cyclohexylethyl]amino]-N-(2-methylpropyl)propanamide
CID 81385143
2-[[(1S)-1-cyclopentylethyl]amino]-N-(3-methoxypropyl)propanamide
CID 81395208
2-[[(1R)-1-cyclopentylethyl]amino]-N-(3-methoxypropyl)propanamide
CID 81394890
2-(1-cyclopropylethylamino)-N-propylpropanamide
CID 43401278
2-[[(1R)-1-cyclopentylethyl]amino]-N-(2-methylpropyl)propanamide
CID 81393775
2-[[(1S)-1-cyclohexylethyl]amino]-N-(2-methoxyethyl)propanamide
CID 81384699
2-(1-cyclohexylethylamino)-N-pentan-3-ylpropanamide
CID 62405918
N-cyclohexyl-2-[[(1S)-1-cyclohexylethyl]amino]propanamide
CID 81384329
2-[[(1S)-1-cyclohexylethyl]amino]-N-methylpropanamide
CID 81384429
N-cyclohexyl-2-[[(1R)-1-cyclohexylethyl]amino]propanamide
CID 81384882
2-(1-cyclohexylethylamino)-N-cyclopropylpropanamide
CID 62405745
2-[[(1S)-1-cyclopentylethyl]amino]-N-prop-2-ynylpropanamide
CID 81395795

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-cycloheptylethyl]amino]-N-pentylpropanamide?
The IUPAC name of 2-[[(1R)-1-cycloheptylethyl]amino]-N-pentylpropanamide (CID 81392391) is 2-[[(1R)-1-cycloheptylethyl]amino]-N-pentylpropanamide.
What is the SMILES notation for 2-[[(1R)-1-cycloheptylethyl]amino]-N-pentylpropanamide?
The canonical SMILES for 2-[[(1R)-1-cycloheptylethyl]amino]-N-pentylpropanamide is CCCCCNC(=O)C(C)N[C@H](C)C1CCCCCC1.
What is the InChIKey of 2-[[(1R)-1-cycloheptylethyl]amino]-N-pentylpropanamide?
The InChIKey is IQVASEREDMXQSP-GICMACPYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-4-5-10-13-18-17(20)15(3)19-14(2)16-11-8-6-7-9-12-16/h14-16,19H,4-13H2,1-3H3,(H,18,20)/t14-,15?/m1/s1.
What are the key properties of 2-[[(1R)-1-cycloheptylethyl]amino]-N-pentylpropanamide?
2-[[(1R)-1-cycloheptylethyl]amino]-N-pentylpropanamide has a molecular weight of 282.47 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-cycloheptylethyl]amino]-N-pentylpropanamide is sourced from PubChem (CID 81392391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).