N-methyl-4-[[(1S)-2-methyl-1-phenylpropyl]carbamoylamino]cyclohexane-1-carboxamide

C19H29N3O2 — CID 95041316

IUPACN-methyl-4-[[(1S)-2-methyl-1-phenylpropyl]carbamoylamino]cyclohexane-1-carboxamide
SMILESCNC(=O)C1CCC(NC(=O)N[C@H](c2ccccc2)C(C)C)CC1
InChIInChI=1S/C19H29N3O2/c1-13(2)17(14-7-5-4-6-8-14)22-19(24)21-16-11-9-15(10-12-16)18(23)20-3/h4-8,13,15-17H,9-12H2,1-3H3,(H,20,23)(H2,21,22,24)/t15?,16?,17-/m0/s1
InChIKeyBHGDQOHZSNQMLB-JCYILVPMSA-N
MW331.46 g/mol
LogP2.99
Rot. Bonds5

About N-methyl-4-[[(1S)-2-methyl-1-phenylpropyl]carbamoylamino]cyclohexane-1-carboxamide

N-methyl-4-[[(1S)-2-methyl-1-phenylpropyl]carbamoylamino]cyclohexane-1-carboxamide (PubChem CID 95041316) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-methyl-4-[[(1S)-2-methyl-1-phenylpropyl]carbamoylamino]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[[(1S)-2-methyl-1-phenylpropyl]carbamoylamino]cyclohexane-1-carboxamide
PubChem CID95041316
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-methyl-4-[[(1S)-2-methyl-1-phenylpropyl]carbamoylamino]cyclohexane-1-carboxamide
SMILESCNC(=O)C1CCC(NC(=O)N[C@H](c2ccccc2)C(C)C)CC1
InChIInChI=1S/C19H29N3O2/c1-13(2)17(14-7-5-4-6-8-14)22-19(24)21-16-11-9-15(10-12-16)18(23)20-3/h4-8,13,15-17H,9-12H2,1-3H3,(H,20,23)(H2,21,22,24)/t15?,16?,17-/m0/s1
InChIKeyBHGDQOHZSNQMLB-JCYILVPMSA-N
XLogP2.99
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze N-methyl-4-[[(1S)-2-methyl-1-phenylpropyl]carbamoylamino]cyclohexane-1-carboxamide with MolForge

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Related Compounds

1-cyclopropyl-3-(1-phenylethyl)urea
CID 42924486
1-cyclohexyl-3-[2-(cyclohexylcarbamoylamino)-1,2-diphenylethyl]urea
CID 15231966
1-cyclohexyl-3-[(1S,2S)-2-(cyclohexylcarbamoylamino)-1,2-diphenylethyl]urea
CID 70268253
1-[(1R)-2-methyl-1-phenylpropyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 33424524
1-cyclopentyl-3-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]urea
CID 41327503
N-methyl-4-[1-(3-methyl-1-benzofuran-2-yl)ethylcarbamoylamino]cyclohexane-1-carboxamide
CID 166532094
1-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-3-(oxan-4-yl)urea
CID 129370926
1-cyclohexyl-3-[(1R)-1-phenylethyl]urea
CID 840473
1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599
1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-(2-methyl-1-phenylpropyl)urea
CID 60543923
1-cyclohexyl-3-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]urea
CID 40541623
4-[[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122001879

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[(1S)-2-methyl-1-phenylpropyl]carbamoylamino]cyclohexane-1-carboxamide?
The IUPAC name of N-methyl-4-[[(1S)-2-methyl-1-phenylpropyl]carbamoylamino]cyclohexane-1-carboxamide (CID 95041316) is N-methyl-4-[[(1S)-2-methyl-1-phenylpropyl]carbamoylamino]cyclohexane-1-carboxamide.
What is the SMILES notation for N-methyl-4-[[(1S)-2-methyl-1-phenylpropyl]carbamoylamino]cyclohexane-1-carboxamide?
The canonical SMILES for N-methyl-4-[[(1S)-2-methyl-1-phenylpropyl]carbamoylamino]cyclohexane-1-carboxamide is CNC(=O)C1CCC(NC(=O)N[C@H](c2ccccc2)C(C)C)CC1.
What is the InChIKey of N-methyl-4-[[(1S)-2-methyl-1-phenylpropyl]carbamoylamino]cyclohexane-1-carboxamide?
The InChIKey is BHGDQOHZSNQMLB-JCYILVPMSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-13(2)17(14-7-5-4-6-8-14)22-19(24)21-16-11-9-15(10-12-16)18(23)20-3/h4-8,13,15-17H,9-12H2,1-3H3,(H,20,23)(H2,21,22,24)/t15?,16?,17-/m0/s1.
What are the key properties of N-methyl-4-[[(1S)-2-methyl-1-phenylpropyl]carbamoylamino]cyclohexane-1-carboxamide?
N-methyl-4-[[(1S)-2-methyl-1-phenylpropyl]carbamoylamino]cyclohexane-1-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 2.99, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[(1S)-2-methyl-1-phenylpropyl]carbamoylamino]cyclohexane-1-carboxamide is sourced from PubChem (CID 95041316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).