4-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]benzamide

C17H26N2O — CID 81392809

IUPAC4-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(CN)cc1)C1CCCCCC1
InChIInChI=1S/C17H26N2O/c1-13(15-6-4-2-3-5-7-15)19-17(20)16-10-8-14(12-18)9-11-16/h8-11,13,15H,2-7,12,18H2,1H3,(H,19,20)/t13-/m0/s1
InChIKeyFERGHPGVIBOECX-ZDUSSCGKSA-N
MW274.41 g/mol
LogP3.23
Rot. Bonds4

About 4-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]benzamide

4-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]benzamide (PubChem CID 81392809) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]benzamide
PubChem CID81392809
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name4-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(CN)cc1)C1CCCCCC1
InChIInChI=1S/C17H26N2O/c1-13(15-6-4-2-3-5-7-15)19-17(20)16-10-8-14(12-18)9-11-16/h8-11,13,15H,2-7,12,18H2,1H3,(H,19,20)/t13-/m0/s1
InChIKeyFERGHPGVIBOECX-ZDUSSCGKSA-N
XLogP3.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-N-(1-cyclohexylethyl)benzamide
CID 55069258
4-(bromomethyl)-N-[(1R)-1-cycloheptylethyl]benzamide
CID 102851926
N-[(1S)-1-cyclohexylethyl]-4-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]phenyl]benzamide
CID 132596984
4-amino-N-(1-cyclopentylethyl)benzamide;hydrochloride
CID 119782446
4-(3-aminoprop-1-ynyl)-N-(1-cyclohexylethyl)benzamide
CID 62406547
3-amino-N-(1-cyclohexylethyl)benzamide
CID 62404995
4-amino-3-bromo-N-[(1R)-1-cycloheptylethyl]benzamide
CID 81392320
3-amino-4-chloro-N-[(1R)-1-cycloheptylethyl]benzamide
CID 81392061
4-(aminomethyl)-N-[cyclopentyl-(4-fluorophenyl)methyl]benzamide;hydrochloride
CID 119295925
4-(aminomethyl)-N-[(2R)-butan-2-yl]benzamide
CID 30046782
4-bromo-N-(1-cyclohexylethyl)-3-hydroxybenzamide
CID 103873468
4-amino-N-[(1S)-1-cyclopentylethyl]-3-fluorobenzamide
CID 81389087

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]benzamide?
The IUPAC name of 4-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]benzamide (CID 81392809) is 4-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]benzamide?
The canonical SMILES for 4-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]benzamide is C[C@H](NC(=O)c1ccc(CN)cc1)C1CCCCCC1.
What is the InChIKey of 4-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]benzamide?
The InChIKey is FERGHPGVIBOECX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13(15-6-4-2-3-5-7-15)19-17(20)16-10-8-14(12-18)9-11-16/h8-11,13,15H,2-7,12,18H2,1H3,(H,19,20)/t13-/m0/s1.
What are the key properties of 4-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]benzamide?
4-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]benzamide has a molecular weight of 274.41 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]benzamide is sourced from PubChem (CID 81392809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).