3-(cyclohexylcarbamoylamino)-N-[2-(dimethylamino)-3-phenylpropyl]propanamide

C21H34N4O2 — CID 24640003

IUPAC3-(cyclohexylcarbamoylamino)-N-[2-(dimethylamino)-3-phenylpropyl]propanamide
SMILESCN(C)C(CNC(=O)CCNC(=O)NC1CCCCC1)Cc1ccccc1
InChIInChI=1S/C21H34N4O2/c1-25(2)19(15-17-9-5-3-6-10-17)16-23-20(26)13-14-22-21(27)24-18-11-7-4-8-12-18/h3,5-6,9-10,18-19H,4,7-8,11-16H2,1-2H3,(H,23,26)(H2,22,24,27)
InChIKeyAHWIHVZWEABXJN-UHFFFAOYSA-N
MW374.53 g/mol
LogP2.30
Rot. Bonds9

About 3-(cyclohexylcarbamoylamino)-N-[2-(dimethylamino)-3-phenylpropyl]propanamide

3-(cyclohexylcarbamoylamino)-N-[2-(dimethylamino)-3-phenylpropyl]propanamide (PubChem CID 24640003) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is 3-(cyclohexylcarbamoylamino)-N-[2-(dimethylamino)-3-phenylpropyl]propanamide.

Molecular Properties

Compound Name3-(cyclohexylcarbamoylamino)-N-[2-(dimethylamino)-3-phenylpropyl]propanamide
PubChem CID24640003
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC Name3-(cyclohexylcarbamoylamino)-N-[2-(dimethylamino)-3-phenylpropyl]propanamide
SMILESCN(C)C(CNC(=O)CCNC(=O)NC1CCCCC1)Cc1ccccc1
InChIInChI=1S/C21H34N4O2/c1-25(2)19(15-17-9-5-3-6-10-17)16-23-20(26)13-14-22-21(27)24-18-11-7-4-8-12-18/h3,5-6,9-10,18-19H,4,7-8,11-16H2,1-2H3,(H,23,26)(H2,22,24,27)
InChIKeyAHWIHVZWEABXJN-UHFFFAOYSA-N
XLogP2.30
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-3-[2-(dimethylamino)-3-phenylpropyl]-2-methylguanidine
CID 110991673
1-(cyclopentylmethyl)-3-[2-(dimethylamino)-3-phenylpropyl]urea
CID 166180346
N-[2-(dimethylamino)-3-phenylpropyl]-4-oxo-4-phenylbutanamide
CID 75844778
3-(cyclohexylcarbamoylamino)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]propanamide
CID 16622876
N-[2-(dimethylamino)-3-phenylpropyl]-3,3-dimethylbutanamide
CID 47007668
3-(cyclohexylcarbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide
CID 46597632
benzyl 2-[4-(cyclohexylcarbamoylamino)butanoylamino]acetate
CID 16614928
1-cyclopentyl-3-[1-(dimethylamino)-3-phenylpropan-2-yl]urea
CID 60544383
1-[2-(dimethylamino)-3-phenylpropyl]-3-(3,3,3-trifluoropropyl)urea
CID 167893298
1-cyclopropyl-3-(2-methyl-3-phenylpropyl)urea
CID 110356549
1-[(S)-cyclopropyl(phenyl)methyl]-3-[2-(dimethylamino)-3-phenylpropyl]urea
CID 175120316
N-[2-(dimethylamino)-3-phenylpropyl]-3-(4-methoxyphenyl)propanamide
CID 51186444

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylcarbamoylamino)-N-[2-(dimethylamino)-3-phenylpropyl]propanamide?
The IUPAC name of 3-(cyclohexylcarbamoylamino)-N-[2-(dimethylamino)-3-phenylpropyl]propanamide (CID 24640003) is 3-(cyclohexylcarbamoylamino)-N-[2-(dimethylamino)-3-phenylpropyl]propanamide.
What is the SMILES notation for 3-(cyclohexylcarbamoylamino)-N-[2-(dimethylamino)-3-phenylpropyl]propanamide?
The canonical SMILES for 3-(cyclohexylcarbamoylamino)-N-[2-(dimethylamino)-3-phenylpropyl]propanamide is CN(C)C(CNC(=O)CCNC(=O)NC1CCCCC1)Cc1ccccc1.
What is the InChIKey of 3-(cyclohexylcarbamoylamino)-N-[2-(dimethylamino)-3-phenylpropyl]propanamide?
The InChIKey is AHWIHVZWEABXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-25(2)19(15-17-9-5-3-6-10-17)16-23-20(26)13-14-22-21(27)24-18-11-7-4-8-12-18/h3,5-6,9-10,18-19H,4,7-8,11-16H2,1-2H3,(H,23,26)(H2,22,24,27).
What are the key properties of 3-(cyclohexylcarbamoylamino)-N-[2-(dimethylamino)-3-phenylpropyl]propanamide?
3-(cyclohexylcarbamoylamino)-N-[2-(dimethylamino)-3-phenylpropyl]propanamide has a molecular weight of 374.53 g/mol, XLogP of 2.30, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylcarbamoylamino)-N-[2-(dimethylamino)-3-phenylpropyl]propanamide is sourced from PubChem (CID 24640003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).