3-amino-N-benzyl-N-cycloheptylpropanamide

C17H26N2O — CID 39373340

IUPAC3-amino-N-benzyl-N-cycloheptylpropanamide
SMILESNCCC(=O)N(Cc1ccccc1)C1CCCCCC1
InChIInChI=1S/C17H26N2O/c18-13-12-17(20)19(14-15-8-4-3-5-9-15)16-10-6-1-2-7-11-16/h3-5,8-9,16H,1-2,6-7,10-14,18H2
InChIKeyQBOCOSPHDIZQRR-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.09
Rot. Bonds5

About 3-amino-N-benzyl-N-cycloheptylpropanamide

3-amino-N-benzyl-N-cycloheptylpropanamide (PubChem CID 39373340) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-amino-N-benzyl-N-cycloheptylpropanamide.

Molecular Properties

Compound Name3-amino-N-benzyl-N-cycloheptylpropanamide
PubChem CID39373340
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-amino-N-benzyl-N-cycloheptylpropanamide
SMILESNCCC(=O)N(Cc1ccccc1)C1CCCCCC1
InChIInChI=1S/C17H26N2O/c18-13-12-17(20)19(14-15-8-4-3-5-9-15)16-10-6-1-2-7-11-16/h3-5,8-9,16H,1-2,6-7,10-14,18H2
InChIKeyQBOCOSPHDIZQRR-UHFFFAOYSA-N
XLogP3.09
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-amino-N-benzyl-N-cyclohexylheptanamide
CID 119729560
6-amino-N-benzyl-N-cyclopropylhexanamide
CID 43579228
N-cyclohexyl-N-ethyl-3-phenylpropanamide
CID 670110
(2R)-2-amino-N-benzyl-N-cyclohexylpropanamide;hydrochloride
CID 119042549
N-(3-aminopropyl)-N-cyclobutyl-3-phenylpropanamide
CID 102873861
ethyl 4-[benzyl(cyclopropyl)amino]-4-oxobutanoate
CID 60725115
2-(2-aminoethoxy)-N-benzyl-N-cyclopropylacetamide
CID 79473802
3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 39350832
N-benzyl-2-(cyclopentylamino)-N-cyclopropylacetamide
CID 60846421
N-benzyl-N-cyclohexyl-2-(4-methoxycyclohexyl)acetamide
CID 166186727
3-amino-N-cyclohexyl-N-ethylpropanamide
CID 16786481
3-[benzyl-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]amino]propanamide
CID 18124761

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-benzyl-N-cycloheptylpropanamide?
The IUPAC name of 3-amino-N-benzyl-N-cycloheptylpropanamide (CID 39373340) is 3-amino-N-benzyl-N-cycloheptylpropanamide.
What is the SMILES notation for 3-amino-N-benzyl-N-cycloheptylpropanamide?
The canonical SMILES for 3-amino-N-benzyl-N-cycloheptylpropanamide is NCCC(=O)N(Cc1ccccc1)C1CCCCCC1.
What is the InChIKey of 3-amino-N-benzyl-N-cycloheptylpropanamide?
The InChIKey is QBOCOSPHDIZQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c18-13-12-17(20)19(14-15-8-4-3-5-9-15)16-10-6-1-2-7-11-16/h3-5,8-9,16H,1-2,6-7,10-14,18H2.
What are the key properties of 3-amino-N-benzyl-N-cycloheptylpropanamide?
3-amino-N-benzyl-N-cycloheptylpropanamide has a molecular weight of 274.41 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-benzyl-N-cycloheptylpropanamide is sourced from PubChem (CID 39373340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).