3-amino-N-[(1-phenylcyclopentyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

C20H29ClN2O — CID 119698155

IUPAC3-amino-N-[(1-phenylcyclopentyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCl.NC1C2CCC(C2)C1C(=O)NCC1(c2ccccc2)CCCC1
InChIInChI=1S/C20H28N2O.ClH/c21-18-15-9-8-14(12-15)17(18)19(23)22-13-20(10-4-5-11-20)16-6-2-1-3-7-16;/h1-3,6-7,14-15,17-18H,4-5,8-13,21H2,(H,22,23);1H
InChIKeyJGYMPRATYCPIHI-UHFFFAOYSA-N
MW348.92 g/mol
LogP3.41
Rot. Bonds4

About 3-amino-N-[(1-phenylcyclopentyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

3-amino-N-[(1-phenylcyclopentyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (PubChem CID 119698155) has the molecular formula C20H29ClN2O and a molecular weight of 348.92 g/mol. Its IUPAC name is 3-amino-N-[(1-phenylcyclopentyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[(1-phenylcyclopentyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
PubChem CID119698155
Molecular FormulaC20H29ClN2O
Molecular Weight348.92 g/mol
Exact Mass348.20
IUPAC Name3-amino-N-[(1-phenylcyclopentyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCl.NC1C2CCC(C2)C1C(=O)NCC1(c2ccccc2)CCCC1
InChIInChI=1S/C20H28N2O.ClH/c21-18-15-9-8-14(12-15)17(18)19(23)22-13-20(10-4-5-11-20)16-6-2-1-3-7-16;/h1-3,6-7,14-15,17-18H,4-5,8-13,21H2,(H,22,23);1H
InChIKeyJGYMPRATYCPIHI-UHFFFAOYSA-N
XLogP3.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.92
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(1-phenylcyclopentyl)methyl]cyclopentane-1-carboxamide
CID 119698154
3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119830078
3-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119749561
(1S,3R,4R)-3-amino-4-hydroxy-N-[(1-phenylcyclohexyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 155940030
N-[(1-phenylcyclopentyl)methyl]cyclohexanecarboxamide
CID 18128273
3-amino-N-[(1-propylcyclopropyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119822130
N-[(1-phenylcyclopentyl)methyl]piperidine-4-carboxamide
CID 119275845
3-amino-N-(3-anilino-3-oxopropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119785792
N-[(1-phenylcyclohexyl)methyl]oxane-4-carboxamide
CID 51078296
N-[(1-phenylcyclopentyl)methyl]pyrrolidine-2-carboxamide
CID 110481276
1-amino-N-[(1-phenylcyclobutyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119276343
(3S)-N-[(1-phenylcyclopentyl)methyl]oxolane-3-carboxamide
CID 95272452

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1-phenylcyclopentyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[(1-phenylcyclopentyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (CID 119698155) is 3-amino-N-[(1-phenylcyclopentyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[(1-phenylcyclopentyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[(1-phenylcyclopentyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is Cl.NC1C2CCC(C2)C1C(=O)NCC1(c2ccccc2)CCCC1.
What is the InChIKey of 3-amino-N-[(1-phenylcyclopentyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The InChIKey is JGYMPRATYCPIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O.ClH/c21-18-15-9-8-14(12-15)17(18)19(23)22-13-20(10-4-5-11-20)16-6-2-1-3-7-16;/h1-3,6-7,14-15,17-18H,4-5,8-13,21H2,(H,22,23);1H.
What are the key properties of 3-amino-N-[(1-phenylcyclopentyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
3-amino-N-[(1-phenylcyclopentyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride has a molecular weight of 348.92 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1-phenylcyclopentyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119698155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).