3-amino-N-methyl-N-[1-(4-methylphenyl)butan-2-yl]cyclopentane-1-carboxamide;hydrochloride

C18H29ClN2O — CID 119806868

IUPAC3-amino-N-methyl-N-[1-(4-methylphenyl)butan-2-yl]cyclopentane-1-carboxamide;hydrochloride
SMILESCCC(Cc1ccc(C)cc1)N(C)C(=O)C1CCC(N)C1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-4-17(11-14-7-5-13(2)6-8-14)20(3)18(21)15-9-10-16(19)12-15;/h5-8,15-17H,4,9-12,19H2,1-3H3;1H
InChIKeyUSAAXCACDUQTTN-UHFFFAOYSA-N
MW324.90 g/mol
LogP3.32
Rot. Bonds5

About 3-amino-N-methyl-N-[1-(4-methylphenyl)butan-2-yl]cyclopentane-1-carboxamide;hydrochloride

3-amino-N-methyl-N-[1-(4-methylphenyl)butan-2-yl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119806868) has the molecular formula C18H29ClN2O and a molecular weight of 324.90 g/mol. Its IUPAC name is 3-amino-N-methyl-N-[1-(4-methylphenyl)butan-2-yl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-methyl-N-[1-(4-methylphenyl)butan-2-yl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119806868
Molecular FormulaC18H29ClN2O
Molecular Weight324.90 g/mol
Exact Mass324.20
IUPAC Name3-amino-N-methyl-N-[1-(4-methylphenyl)butan-2-yl]cyclopentane-1-carboxamide;hydrochloride
SMILESCCC(Cc1ccc(C)cc1)N(C)C(=O)C1CCC(N)C1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-4-17(11-14-7-5-13(2)6-8-14)20(3)18(21)15-9-10-16(19)12-15;/h5-8,15-17H,4,9-12,19H2,1-3H3;1H
InChIKeyUSAAXCACDUQTTN-UHFFFAOYSA-N
XLogP3.32
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.90
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-methyl-N-[1-(4-methylphenyl)butan-2-yl]cyclohexane-1-carboxamide
CID 119806871
3-amino-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]cyclohexane-1-carboxamide
CID 119795534
N-methyl-N-[1-(4-methylphenyl)butan-2-yl]pyrrolidine-3-carboxamide
CID 119806895
4-(aminomethyl)-N-methyl-N-[1-(4-methylphenyl)butan-2-yl]benzamide;hydrochloride
CID 75429854
4-amino-N-methyl-N-[(4-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 60847411
4-(aminomethyl)-N-methyl-N-[(2S)-1-(4-methylphenyl)butan-2-yl]benzamide
CID 97235291
3-amino-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 66033053
3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 84584678
3-amino-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119709118
3-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119737170
cis-(1R,3S)-3-amino-N-(2-methylpropyl)-N-pentan-3-ylcyclopentane-1-carboxamide
CID 97159337
3-[methyl(pentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103549901

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-[1-(4-methylphenyl)butan-2-yl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-methyl-N-[1-(4-methylphenyl)butan-2-yl]cyclopentane-1-carboxamide;hydrochloride (CID 119806868) is 3-amino-N-methyl-N-[1-(4-methylphenyl)butan-2-yl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-methyl-N-[1-(4-methylphenyl)butan-2-yl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-methyl-N-[1-(4-methylphenyl)butan-2-yl]cyclopentane-1-carboxamide;hydrochloride is CCC(Cc1ccc(C)cc1)N(C)C(=O)C1CCC(N)C1.Cl.
What is the InChIKey of 3-amino-N-methyl-N-[1-(4-methylphenyl)butan-2-yl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is USAAXCACDUQTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O.ClH/c1-4-17(11-14-7-5-13(2)6-8-14)20(3)18(21)15-9-10-16(19)12-15;/h5-8,15-17H,4,9-12,19H2,1-3H3;1H.
What are the key properties of 3-amino-N-methyl-N-[1-(4-methylphenyl)butan-2-yl]cyclopentane-1-carboxamide;hydrochloride?
3-amino-N-methyl-N-[1-(4-methylphenyl)butan-2-yl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 324.90 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-[1-(4-methylphenyl)butan-2-yl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119806868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).