1-(aminomethyl)-N-[4-(carbamoylamino)phenyl]cyclohexane-1-carboxamide

C15H22N4O2 — CID 115437417

IUPAC1-(aminomethyl)-N-[4-(carbamoylamino)phenyl]cyclohexane-1-carboxamide
SMILESNCC1(C(=O)Nc2ccc(NC(N)=O)cc2)CCCCC1
InChIInChI=1S/C15H22N4O2/c16-10-15(8-2-1-3-9-15)13(20)18-11-4-6-12(7-5-11)19-14(17)21/h4-7H,1-3,8-10,16H2,(H,18,20)(H3,17,19,21)
InChIKeyDWWQYTXGGXFFHF-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.02
Rot. Bonds4

About 1-(aminomethyl)-N-[4-(carbamoylamino)phenyl]cyclohexane-1-carboxamide

1-(aminomethyl)-N-[4-(carbamoylamino)phenyl]cyclohexane-1-carboxamide (PubChem CID 115437417) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[4-(carbamoylamino)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[4-(carbamoylamino)phenyl]cyclohexane-1-carboxamide
PubChem CID115437417
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name1-(aminomethyl)-N-[4-(carbamoylamino)phenyl]cyclohexane-1-carboxamide
SMILESNCC1(C(=O)Nc2ccc(NC(N)=O)cc2)CCCCC1
InChIInChI=1S/C15H22N4O2/c16-10-15(8-2-1-3-9-15)13(20)18-11-4-6-12(7-5-11)19-14(17)21/h4-7H,1-3,8-10,16H2,(H,18,20)(H3,17,19,21)
InChIKeyDWWQYTXGGXFFHF-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-(4-hydroxyphenyl)cyclohexane-1-carboxamide
CID 115437412
1-(aminomethyl)-N-(4-bromophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670345
1-(aminomethyl)-N-[1-[4-(carbamoylamino)phenyl]ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119721956
1-(aminomethyl)-N-(4-methylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119694256
1-(aminomethyl)-N-[4-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119700920
1-(aminomethyl)-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 119685728
1-(aminomethyl)-N-pyridin-4-ylcyclobutane-1-carboxamide
CID 80587391
1-(aminomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]cyclobutane-1-carboxamide
CID 115448437
1-(aminomethyl)-N-[4-(triazol-2-yl)phenyl]cyclopentane-1-carboxamide
CID 81485494
1-(aminomethyl)-N-(4-bromo-3-fluorophenyl)cycloheptane-1-carboxamide
CID 115444172
1-(aminomethyl)-N-(3-iodo-4-methylphenyl)cyclohexane-1-carboxamide
CID 115437382
4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-N-tert-butylbenzamide
CID 119703087

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[4-(carbamoylamino)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[4-(carbamoylamino)phenyl]cyclohexane-1-carboxamide (CID 115437417) is 1-(aminomethyl)-N-[4-(carbamoylamino)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[4-(carbamoylamino)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[4-(carbamoylamino)phenyl]cyclohexane-1-carboxamide is NCC1(C(=O)Nc2ccc(NC(N)=O)cc2)CCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-[4-(carbamoylamino)phenyl]cyclohexane-1-carboxamide?
The InChIKey is DWWQYTXGGXFFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c16-10-15(8-2-1-3-9-15)13(20)18-11-4-6-12(7-5-11)19-14(17)21/h4-7H,1-3,8-10,16H2,(H,18,20)(H3,17,19,21).
What are the key properties of 1-(aminomethyl)-N-[4-(carbamoylamino)phenyl]cyclohexane-1-carboxamide?
1-(aminomethyl)-N-[4-(carbamoylamino)phenyl]cyclohexane-1-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 2.02, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[4-(carbamoylamino)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 115437417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).