1-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]cyclohexane-1-carboxamide;hydrochloride

C19H28ClN3O3 — CID 119328855

IUPAC1-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]cyclohexane-1-carboxamide;hydrochloride
SMILESCOc1ccc(CN2CCC(NC(=O)C3(N)CCCCC3)C2=O)cc1.Cl
InChIInChI=1S/C19H27N3O3.ClH/c1-25-15-7-5-14(6-8-15)13-22-12-9-16(17(22)23)21-18(24)19(20)10-3-2-4-11-19;/h5-8,16H,2-4,9-13,20H2,1H3,(H,21,24);1H
InChIKeyMAKZBYWGYQTXRU-UHFFFAOYSA-N
MW381.90 g/mol
LogP2.00
Rot. Bonds5

About 1-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]cyclohexane-1-carboxamide;hydrochloride

1-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119328855) has the molecular formula C19H28ClN3O3 and a molecular weight of 381.90 g/mol. Its IUPAC name is 1-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119328855
Molecular FormulaC19H28ClN3O3
Molecular Weight381.90 g/mol
Exact Mass381.18
IUPAC Name1-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]cyclohexane-1-carboxamide;hydrochloride
SMILESCOc1ccc(CN2CCC(NC(=O)C3(N)CCCCC3)C2=O)cc1.Cl
InChIInChI=1S/C19H27N3O3.ClH/c1-25-15-7-5-14(6-8-15)13-22-12-9-16(17(22)23)21-18(24)19(20)10-3-2-4-11-19;/h5-8,16H,2-4,9-13,20H2,1H3,(H,21,24);1H
InChIKeyMAKZBYWGYQTXRU-UHFFFAOYSA-N
XLogP2.00
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.90
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]cyclohexane-1-carboxamide;hydrochloride with MolForge

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Related Compounds

2-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]acetamide;hydrochloride
CID 119328833
(2R)-2-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]propanamide
CID 119328850
N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-(methylamino)butanamide;hydrochloride
CID 119792938
1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 140665359
3-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-3-phenylpropanamide
CID 119951734
2-(aminomethyl)-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119792966
2-(2-aminoethyl)-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120634264
3-(1-cyclopropylethylamino)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 119145641
N-[(3S)-1-[(4-methoxyphenyl)methyl]-2-oxoazepan-3-yl]formamide
CID 87870078
1-amino-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]cyclopropane-1-carboxamide;hydrochloride
CID 119813995
N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-2-(7-methyl-1H-indol-3-yl)acetamide
CID 126788506
1-amino-N-[3-[(4-methoxyphenyl)methoxy]propyl]cyclohexane-1-carboxamide
CID 119316937

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]cyclohexane-1-carboxamide;hydrochloride (CID 119328855) is 1-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]cyclohexane-1-carboxamide;hydrochloride is COc1ccc(CN2CCC(NC(=O)C3(N)CCCCC3)C2=O)cc1.Cl.
What is the InChIKey of 1-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is MAKZBYWGYQTXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3.ClH/c1-25-15-7-5-14(6-8-15)13-22-12-9-16(17(22)23)21-18(24)19(20)10-3-2-4-11-19;/h5-8,16H,2-4,9-13,20H2,1H3,(H,21,24);1H.
What are the key properties of 1-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]cyclohexane-1-carboxamide;hydrochloride?
1-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 381.90 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119328855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).