3-amino-N-benzyl-N-propan-2-ylcyclopentane-1-carboxamide;hydrochloride

C16H25ClN2O — CID 119676287

IUPAC3-amino-N-benzyl-N-propan-2-ylcyclopentane-1-carboxamide;hydrochloride
SMILESCC(C)N(Cc1ccccc1)C(=O)C1CCC(N)C1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-12(2)18(11-13-6-4-3-5-7-13)16(19)14-8-9-15(17)10-14;/h3-7,12,14-15H,8-11,17H2,1-2H3;1H
InChIKeyXYSSYWCXEFHHDX-UHFFFAOYSA-N
MW296.84 g/mol
LogP2.97
Rot. Bonds4

About 3-amino-N-benzyl-N-propan-2-ylcyclopentane-1-carboxamide;hydrochloride

3-amino-N-benzyl-N-propan-2-ylcyclopentane-1-carboxamide;hydrochloride (PubChem CID 119676287) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 3-amino-N-benzyl-N-propan-2-ylcyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-benzyl-N-propan-2-ylcyclopentane-1-carboxamide;hydrochloride
PubChem CID119676287
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name3-amino-N-benzyl-N-propan-2-ylcyclopentane-1-carboxamide;hydrochloride
SMILESCC(C)N(Cc1ccccc1)C(=O)C1CCC(N)C1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-12(2)18(11-13-6-4-3-5-7-13)16(19)14-8-9-15(17)10-14;/h3-7,12,14-15H,8-11,17H2,1-2H3;1H
InChIKeyXYSSYWCXEFHHDX-UHFFFAOYSA-N
XLogP2.97
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(3-methylsulfanylphenyl)methyl]-N-propan-2-ylcyclopentane-1-carboxamide
CID 156609275
2-amino-N-benzyl-N-propan-2-ylcyclopropane-1-carboxamide
CID 55035812
3-amino-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcyclopentane-1-carboxamide
CID 66010634
4-amino-N-propan-2-yl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 60962806
3-amino-N-(2-methylpropyl)-N-propan-2-ylcyclopentane-1-carboxamide;hydrochloride
CID 119730925
4-N-benzyl-1-N-phenyl-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109149711
2-amino-N-benzyl-N-propan-2-ylcyclohexane-1-carboxamide
CID 64818125
3-amino-N-benzyl-N-(2-phenylethyl)cyclopentane-1-carboxamide
CID 119675945
3-amino-N-(2-amino-2-oxoethyl)-N-benzylcyclopentane-1-carboxamide
CID 119783021
3-amino-N-(2-amino-2-oxoethyl)-N-[(1R)-1-phenylethyl]cyclopentane-1-carboxamide
CID 119807871
cis-(1S,2R)-2-[benzyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93320338
N-benzyl-N-propan-2-yloxane-3-carboxamide
CID 110855554

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-benzyl-N-propan-2-ylcyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-benzyl-N-propan-2-ylcyclopentane-1-carboxamide;hydrochloride (CID 119676287) is 3-amino-N-benzyl-N-propan-2-ylcyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-benzyl-N-propan-2-ylcyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-benzyl-N-propan-2-ylcyclopentane-1-carboxamide;hydrochloride is CC(C)N(Cc1ccccc1)C(=O)C1CCC(N)C1.Cl.
What is the InChIKey of 3-amino-N-benzyl-N-propan-2-ylcyclopentane-1-carboxamide;hydrochloride?
The InChIKey is XYSSYWCXEFHHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O.ClH/c1-12(2)18(11-13-6-4-3-5-7-13)16(19)14-8-9-15(17)10-14;/h3-7,12,14-15H,8-11,17H2,1-2H3;1H.
What are the key properties of 3-amino-N-benzyl-N-propan-2-ylcyclopentane-1-carboxamide;hydrochloride?
3-amino-N-benzyl-N-propan-2-ylcyclopentane-1-carboxamide;hydrochloride has a molecular weight of 296.84 g/mol, XLogP of 2.97, 4 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-propan-2-ylcyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119676287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).