3-amino-N-[4-[(carbamoylamino)methyl]phenyl]cyclohexane-1-carboxamide

C15H22N4O2 — CID 119757601

IUPAC3-amino-N-[4-[(carbamoylamino)methyl]phenyl]cyclohexane-1-carboxamide
SMILESNC(=O)NCc1ccc(NC(=O)C2CCCC(N)C2)cc1
InChIInChI=1S/C15H22N4O2/c16-12-3-1-2-11(8-12)14(20)19-13-6-4-10(5-7-13)9-18-15(17)21/h4-7,11-12H,1-3,8-9,16H2,(H,19,20)(H3,17,18,21)
InChIKeyVRAMMWZVCTUYBO-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.31
Rot. Bonds4

About 3-amino-N-[4-[(carbamoylamino)methyl]phenyl]cyclohexane-1-carboxamide

3-amino-N-[4-[(carbamoylamino)methyl]phenyl]cyclohexane-1-carboxamide (PubChem CID 119757601) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-amino-N-[4-[(carbamoylamino)methyl]phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-[(carbamoylamino)methyl]phenyl]cyclohexane-1-carboxamide
PubChem CID119757601
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name3-amino-N-[4-[(carbamoylamino)methyl]phenyl]cyclohexane-1-carboxamide
SMILESNC(=O)NCc1ccc(NC(=O)C2CCCC(N)C2)cc1
InChIInChI=1S/C15H22N4O2/c16-12-3-1-2-11(8-12)14(20)19-13-6-4-10(5-7-13)9-18-15(17)21/h4-7,11-12H,1-3,8-9,16H2,(H,19,20)(H3,17,18,21)
InChIKeyVRAMMWZVCTUYBO-UHFFFAOYSA-N
XLogP1.31
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide
CID 119700137
2-[4-[(3-aminocyclohexanecarbonyl)amino]phenyl]acetic acid
CID 63045402
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119700136
3-amino-N-[4-[(dimethylamino)methyl]phenyl]cyclohexane-1-carboxamide
CID 63041991
3-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclohexane-1-carboxamide
CID 63043789
N-[4-[(carbamoylamino)methyl]phenyl]piperidine-3-carboxamide
CID 119308510
3-amino-N-[4-(phenylmethoxymethyl)phenyl]cyclohexane-1-carboxamide
CID 119794511
3-amino-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 55146737
3-amino-N-[(4-bromophenyl)methyl]cyclohexane-1-carboxamide
CID 63041803
3-amino-N-[4-(propanoylamino)phenyl]cyclohexane-1-carboxamide
CID 63044136
3-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]cyclohexane-1-carboxamide
CID 119702306
3-amino-N-benzylcyclohexane-1-carboxamide;hydrochloride
CID 119669914

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-[(carbamoylamino)methyl]phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[4-[(carbamoylamino)methyl]phenyl]cyclohexane-1-carboxamide (CID 119757601) is 3-amino-N-[4-[(carbamoylamino)methyl]phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[4-[(carbamoylamino)methyl]phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[4-[(carbamoylamino)methyl]phenyl]cyclohexane-1-carboxamide is NC(=O)NCc1ccc(NC(=O)C2CCCC(N)C2)cc1.
What is the InChIKey of 3-amino-N-[4-[(carbamoylamino)methyl]phenyl]cyclohexane-1-carboxamide?
The InChIKey is VRAMMWZVCTUYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c16-12-3-1-2-11(8-12)14(20)19-13-6-4-10(5-7-13)9-18-15(17)21/h4-7,11-12H,1-3,8-9,16H2,(H,19,20)(H3,17,18,21).
What are the key properties of 3-amino-N-[4-[(carbamoylamino)methyl]phenyl]cyclohexane-1-carboxamide?
3-amino-N-[4-[(carbamoylamino)methyl]phenyl]cyclohexane-1-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 1.31, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-[(carbamoylamino)methyl]phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119757601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).