N-methyl-3-(phenylcarbamoylamino)-N-(4-phenylcyclohexyl)propanamide

C23H29N3O2 — CID 55588872

IUPACN-methyl-3-(phenylcarbamoylamino)-N-(4-phenylcyclohexyl)propanamide
SMILESCN(C(=O)CCNC(=O)Nc1ccccc1)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C23H29N3O2/c1-26(21-14-12-19(13-15-21)18-8-4-2-5-9-18)22(27)16-17-24-23(28)25-20-10-6-3-7-11-20/h2-11,19,21H,12-17H2,1H3,(H2,24,25,28)
InChIKeyZJHABFBNTOLCIT-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.38
Rot. Bonds6

About N-methyl-3-(phenylcarbamoylamino)-N-(4-phenylcyclohexyl)propanamide

N-methyl-3-(phenylcarbamoylamino)-N-(4-phenylcyclohexyl)propanamide (PubChem CID 55588872) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-methyl-3-(phenylcarbamoylamino)-N-(4-phenylcyclohexyl)propanamide.

Molecular Properties

Compound NameN-methyl-3-(phenylcarbamoylamino)-N-(4-phenylcyclohexyl)propanamide
PubChem CID55588872
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-methyl-3-(phenylcarbamoylamino)-N-(4-phenylcyclohexyl)propanamide
SMILESCN(C(=O)CCNC(=O)Nc1ccccc1)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C23H29N3O2/c1-26(21-14-12-19(13-15-21)18-8-4-2-5-9-18)22(27)16-17-24-23(28)25-20-10-6-3-7-11-20/h2-11,19,21H,12-17H2,1H3,(H2,24,25,28)
InChIKeyZJHABFBNTOLCIT-UHFFFAOYSA-N
XLogP4.38
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[methyl-(4-phenylcyclohexyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 55588261
N-cyclohexyl-N-methyl-2-(phenylcarbamoylamino)acetamide
CID 34249185
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-3-(phenylcarbamoylamino)propanamide
CID 35603930
N-methyl-2-(2-oxoazocan-1-yl)-N-(4-phenylcyclohexyl)acetamide
CID 55761544
N,N-dimethyl-3-[(4-phenylcyclohexyl)amino]propanamide
CID 60925916
N-methyl-4-oxo-N-(4-phenylcyclohexyl)-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 55588724
3-(benzylcarbamoylamino)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 24679487
3-[[benzyl(methyl)carbamoyl]amino]-N-methyl-N-piperidin-4-ylpropanamide
CID 119442803
3-(phenylcarbamoylamino)-N-[4-(phenylcarbamoylamino)phenyl]propanamide
CID 24676857
4-chloro-N-methyl-N-(4-phenylcyclohexyl)benzamide
CID 19381387
N-(4-butanoylcyclohexyl)-N-methyl-2-(4-phenylcyclohexyl)acetamide;ethane
CID 142209251
N-(3-anilino-3-oxopropyl)-3-(dimethylamino)pyrrolidine-1-carboxamide
CID 122565552

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(phenylcarbamoylamino)-N-(4-phenylcyclohexyl)propanamide?
The IUPAC name of N-methyl-3-(phenylcarbamoylamino)-N-(4-phenylcyclohexyl)propanamide (CID 55588872) is N-methyl-3-(phenylcarbamoylamino)-N-(4-phenylcyclohexyl)propanamide.
What is the SMILES notation for N-methyl-3-(phenylcarbamoylamino)-N-(4-phenylcyclohexyl)propanamide?
The canonical SMILES for N-methyl-3-(phenylcarbamoylamino)-N-(4-phenylcyclohexyl)propanamide is CN(C(=O)CCNC(=O)Nc1ccccc1)C1CCC(c2ccccc2)CC1.
What is the InChIKey of N-methyl-3-(phenylcarbamoylamino)-N-(4-phenylcyclohexyl)propanamide?
The InChIKey is ZJHABFBNTOLCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-26(21-14-12-19(13-15-21)18-8-4-2-5-9-18)22(27)16-17-24-23(28)25-20-10-6-3-7-11-20/h2-11,19,21H,12-17H2,1H3,(H2,24,25,28).
What are the key properties of N-methyl-3-(phenylcarbamoylamino)-N-(4-phenylcyclohexyl)propanamide?
N-methyl-3-(phenylcarbamoylamino)-N-(4-phenylcyclohexyl)propanamide has a molecular weight of 379.50 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(phenylcarbamoylamino)-N-(4-phenylcyclohexyl)propanamide is sourced from PubChem (CID 55588872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).