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

C22H28N4O2 — CID 119287309

IUPAC1-amino-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]cyclohexane-1-carboxamide
SMILESCc1cccc(NC(=O)Nc2cccc(CNC(=O)C3(N)CCCCC3)c2)c1
InChIInChI=1S/C22H28N4O2/c1-16-7-5-9-18(13-16)25-21(28)26-19-10-6-8-17(14-19)15-24-20(27)22(23)11-3-2-4-12-22/h5-10,13-14H,2-4,11-12,15,23H2,1H3,(H,24,27)(H2,25,26,28)
InChIKeySAOQDXNKHLNBMN-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.92
Rot. Bonds5

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

1-amino-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]cyclohexane-1-carboxamide (PubChem CID 119287309) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-amino-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]cyclohexane-1-carboxamide
PubChem CID119287309
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name1-amino-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]cyclohexane-1-carboxamide
SMILESCc1cccc(NC(=O)Nc2cccc(CNC(=O)C3(N)CCCCC3)c2)c1
InChIInChI=1S/C22H28N4O2/c1-16-7-5-9-18(13-16)25-21(28)26-19-10-6-8-17(14-19)15-24-20(27)22(23)11-3-2-4-12-22/h5-10,13-14H,2-4,11-12,15,23H2,1H3,(H,24,27)(H2,25,26,28)
InChIKeySAOQDXNKHLNBMN-UHFFFAOYSA-N
XLogP3.92
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-acetamidophenyl)methyl]-1-aminocyclopentane-1-carboxamide;hydrochloride
CID 119280076
1-amino-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide
CID 119334714
N-[(3-acetamidophenyl)methyl]-1-aminocyclopropane-1-carboxamide
CID 119706274
1-amino-N-[[3-(3-methylbutanoylamino)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119301492
N-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]-4-methylbenzamide
CID 119740472
1-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 103796386
1-amino-N-[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119874624
(2S)-2-amino-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]butanamide
CID 119287307
N-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]cyclobutanecarboxamide
CID 119710727
1-(3-aminophenyl)-3-[(3-methylphenyl)methyl]urea
CID 54944882
1-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)urea
CID 47172104
1-hydroxy-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 110907173

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]cyclohexane-1-carboxamide (CID 119287309) is 1-amino-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]cyclohexane-1-carboxamide is Cc1cccc(NC(=O)Nc2cccc(CNC(=O)C3(N)CCCCC3)c2)c1.
What is the InChIKey of 1-amino-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]cyclohexane-1-carboxamide?
The InChIKey is SAOQDXNKHLNBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-16-7-5-9-18(13-16)25-21(28)26-19-10-6-8-17(14-19)15-24-20(27)22(23)11-3-2-4-12-22/h5-10,13-14H,2-4,11-12,15,23H2,1H3,(H,24,27)(H2,25,26,28).
What are the key properties of 1-amino-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]cyclohexane-1-carboxamide?
1-amino-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]cyclohexane-1-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 3.92, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119287309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).