3-[[4-(dimethylamino)-2-methylphenyl]carbamoyl]cyclopentane-1-carboxylic acid

C16H22N2O3 — CID 103550154

IUPAC3-[[4-(dimethylamino)-2-methylphenyl]carbamoyl]cyclopentane-1-carboxylic acid
SMILESCc1cc(N(C)C)ccc1NC(=O)C1CCC(C(=O)O)C1
InChIInChI=1S/C16H22N2O3/c1-10-8-13(18(2)3)6-7-14(10)17-15(19)11-4-5-12(9-11)16(20)21/h6-8,11-12H,4-5,9H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyDZWVTSOUUDPQHO-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.50
Rot. Bonds4

About 3-[[4-(dimethylamino)-2-methylphenyl]carbamoyl]cyclopentane-1-carboxylic acid

3-[[4-(dimethylamino)-2-methylphenyl]carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103550154) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-[[4-(dimethylamino)-2-methylphenyl]carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[4-(dimethylamino)-2-methylphenyl]carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103550154
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-[[4-(dimethylamino)-2-methylphenyl]carbamoyl]cyclopentane-1-carboxylic acid
SMILESCc1cc(N(C)C)ccc1NC(=O)C1CCC(C(=O)O)C1
InChIInChI=1S/C16H22N2O3/c1-10-8-13(18(2)3)6-7-14(10)17-15(19)11-4-5-12(9-11)16(20)21/h6-8,11-12H,4-5,9H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyDZWVTSOUUDPQHO-UHFFFAOYSA-N
XLogP2.50
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

cis-(1S,3R)-3-[(2-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 91900837
2-(cyclopropanecarbonylamino)-5-(dimethylamino)benzoic acid
CID 50782758
N-(2,4-dimethylphenyl)cyclopropanecarboxamide
CID 5066654
cis-(1S,3R)-3-[(2,4-difluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114091643
(1R)-N-(2,4-dimethylphenyl)-3-iodocyclopentane-1-carboxamide
CID 90130717
N-[4-(diethylamino)-2-methylphenyl]cyclohexanecarboxamide
CID 837088
3-[(5-fluoro-2-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782434
N-[4-(dimethylamino)-2-methylphenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 55780129
2-chloro-N-[4-(dimethylamino)-2-methylphenyl]propanamide
CID 43696996
trans-(1S,2S)-2-[[4-[4-[[(1R,2S)-2-carboxycyclohexanecarbonyl]amino]-3-methylphenyl]-2-methylphenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 51622080
3-[(2,5-dibromophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550238
3-[(4-bromo-2-ethylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 81288944

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(dimethylamino)-2-methylphenyl]carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[[4-(dimethylamino)-2-methylphenyl]carbamoyl]cyclopentane-1-carboxylic acid (CID 103550154) is 3-[[4-(dimethylamino)-2-methylphenyl]carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[[4-(dimethylamino)-2-methylphenyl]carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[[4-(dimethylamino)-2-methylphenyl]carbamoyl]cyclopentane-1-carboxylic acid is Cc1cc(N(C)C)ccc1NC(=O)C1CCC(C(=O)O)C1.
What is the InChIKey of 3-[[4-(dimethylamino)-2-methylphenyl]carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is DZWVTSOUUDPQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-10-8-13(18(2)3)6-7-14(10)17-15(19)11-4-5-12(9-11)16(20)21/h6-8,11-12H,4-5,9H2,1-3H3,(H,17,19)(H,20,21).
What are the key properties of 3-[[4-(dimethylamino)-2-methylphenyl]carbamoyl]cyclopentane-1-carboxylic acid?
3-[[4-(dimethylamino)-2-methylphenyl]carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(dimethylamino)-2-methylphenyl]carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103550154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).