(2R)-2-amino-N-[(1-phenylcycloheptyl)methyl]propanamide;hydrochloride

C17H27ClN2O — CID 119316389

IUPAC(2R)-2-amino-N-[(1-phenylcycloheptyl)methyl]propanamide;hydrochloride
SMILESC[C@@H](N)C(=O)NCC1(c2ccccc2)CCCCCC1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-14(18)16(20)19-13-17(11-7-2-3-8-12-17)15-9-5-4-6-10-15;/h4-6,9-10,14H,2-3,7-8,11-13,18H2,1H3,(H,19,20);1H/t14-;/m1./s1
InChIKeyPBNJBQGSIJQPPG-PFEQFJNWSA-N
MW310.87 g/mol
LogP3.16
Rot. Bonds4

About (2R)-2-amino-N-[(1-phenylcycloheptyl)methyl]propanamide;hydrochloride

(2R)-2-amino-N-[(1-phenylcycloheptyl)methyl]propanamide;hydrochloride (PubChem CID 119316389) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is (2R)-2-amino-N-[(1-phenylcycloheptyl)methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[(1-phenylcycloheptyl)methyl]propanamide;hydrochloride
PubChem CID119316389
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name(2R)-2-amino-N-[(1-phenylcycloheptyl)methyl]propanamide;hydrochloride
SMILESC[C@@H](N)C(=O)NCC1(c2ccccc2)CCCCCC1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-14(18)16(20)19-13-17(11-7-2-3-8-12-17)15-9-5-4-6-10-15;/h4-6,9-10,14H,2-3,7-8,11-13,18H2,1H3,(H,19,20);1H/t14-;/m1./s1
InChIKeyPBNJBQGSIJQPPG-PFEQFJNWSA-N
XLogP3.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 119321524
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(2R)-2-amino-N-[(1-thiophen-2-ylcyclohexyl)methyl]propanamide
CID 119332541
(2R)-2-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]propanamide;hydrochloride
CID 119301081
(2S)-2-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]propanamide
CID 119335838
(2S)-2-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]propanamide;hydrochloride
CID 119312905
N-[(1-phenylcyclopentyl)methyl]-2-piperidin-1-ium-1-ylpropanamide chloride
CID 44655127
(2S)-N-[(1-phenylcyclopentyl)methyl]-2-pyrrolidin-1-ium-1-ylpropanamide
CID 6935034
(2R)-2-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride
CID 119332783
(2R)-2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
CID 119293598
2-amino-N-[(1-phenylcyclopropyl)methyl]pentanamide;hydrochloride
CID 119276377
1-[(1-phenylcyclohexyl)methyl]-3-(2-propan-2-ylphenyl)urea
CID 14977491

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(1-phenylcycloheptyl)methyl]propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-[(1-phenylcycloheptyl)methyl]propanamide;hydrochloride (CID 119316389) is (2R)-2-amino-N-[(1-phenylcycloheptyl)methyl]propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[(1-phenylcycloheptyl)methyl]propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-[(1-phenylcycloheptyl)methyl]propanamide;hydrochloride is C[C@@H](N)C(=O)NCC1(c2ccccc2)CCCCCC1.Cl.
What is the InChIKey of (2R)-2-amino-N-[(1-phenylcycloheptyl)methyl]propanamide;hydrochloride?
The InChIKey is PBNJBQGSIJQPPG-PFEQFJNWSA-N. The full InChI is InChI=1S/C17H26N2O.ClH/c1-14(18)16(20)19-13-17(11-7-2-3-8-12-17)15-9-5-4-6-10-15;/h4-6,9-10,14H,2-3,7-8,11-13,18H2,1H3,(H,19,20);1H/t14-;/m1./s1.
What are the key properties of (2R)-2-amino-N-[(1-phenylcycloheptyl)methyl]propanamide;hydrochloride?
(2R)-2-amino-N-[(1-phenylcycloheptyl)methyl]propanamide;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(1-phenylcycloheptyl)methyl]propanamide;hydrochloride is sourced from PubChem (CID 119316389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).