3-amino-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclohexane-1-carboxamide

C18H25N3O2 — CID 119702395

IUPAC3-amino-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)C1
InChIInChI=1S/C18H25N3O2/c19-15-5-3-4-14(12-15)17(22)20-16-8-6-13(7-9-16)18(23)21-10-1-2-11-21/h6-9,14-15H,1-5,10-12,19H2,(H,20,22)
InChIKeyMUTVJSVQRTZDJH-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.38
Rot. Bonds3

About 3-amino-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclohexane-1-carboxamide

3-amino-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclohexane-1-carboxamide (PubChem CID 119702395) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-amino-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclohexane-1-carboxamide
PubChem CID119702395
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name3-amino-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)C1
InChIInChI=1S/C18H25N3O2/c19-15-5-3-4-14(12-15)17(22)20-16-8-6-13(7-9-16)18(23)21-10-1-2-11-21/h6-9,14-15H,1-5,10-12,19H2,(H,20,22)
InChIKeyMUTVJSVQRTZDJH-UHFFFAOYSA-N
XLogP2.38
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119744216
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide
CID 119700137
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119700136
4-[(3-aminocyclohexanecarbonyl)amino]-N-cyclopropylbenzamide;hydrochloride
CID 119698530
ethyl 1-[4-[(3-aminocyclopentanecarbonyl)amino]benzoyl]piperidine-4-carboxylate;hydrochloride
CID 119797282
3-amino-N-[3-(morpholine-4-carbonyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119712321
3-amino-N-[4-(propanoylamino)phenyl]cyclohexane-1-carboxamide
CID 63044136
N-[4-(4-acetyl-1,4-diazepane-1-carbonyl)phenyl]cyclopropanecarboxamide
CID 134061665
2-[4-[(3-aminocyclohexanecarbonyl)amino]phenyl]acetic acid
CID 63045402
3-amino-N-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide
CID 63044303
3-amino-N-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide
CID 63042501
3-amino-N-[4-[(dimethylamino)methyl]phenyl]cyclohexane-1-carboxamide
CID 63041991

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclohexane-1-carboxamide (CID 119702395) is 3-amino-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclohexane-1-carboxamide is NC1CCCC(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)C1.
What is the InChIKey of 3-amino-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclohexane-1-carboxamide?
The InChIKey is MUTVJSVQRTZDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c19-15-5-3-4-14(12-15)17(22)20-16-8-6-13(7-9-16)18(23)21-10-1-2-11-21/h6-9,14-15H,1-5,10-12,19H2,(H,20,22).
What are the key properties of 3-amino-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclohexane-1-carboxamide?
3-amino-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclohexane-1-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119702395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).