N-cyclohexyl-3-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]propanamide

C21H32N2O2 — CID 60552327

IUPACN-cyclohexyl-3-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]propanamide
SMILESCC(C)Cc1ccc(CC(=O)NCCC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C21H32N2O2/c1-16(2)14-17-8-10-18(11-9-17)15-21(25)22-13-12-20(24)23-19-6-4-3-5-7-19/h8-11,16,19H,3-7,12-15H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyMQRDBYRBGORAJO-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.38
Rot. Bonds8

About N-cyclohexyl-3-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]propanamide

N-cyclohexyl-3-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]propanamide (PubChem CID 60552327) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-cyclohexyl-3-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]propanamide
PubChem CID60552327
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC NameN-cyclohexyl-3-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]propanamide
SMILESCC(C)Cc1ccc(CC(=O)NCCC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C21H32N2O2/c1-16(2)14-17-8-10-18(11-9-17)15-21(25)22-13-12-20(24)23-19-6-4-3-5-7-19/h8-11,16,19H,3-7,12-15H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyMQRDBYRBGORAJO-UHFFFAOYSA-N
XLogP3.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-(4-aminophenyl)acetyl]amino]-N-cyclohexylpropanamide;hydrochloride
CID 119741910
N-cyclopentyl-3-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanamide
CID 60569006
2-[4-(2-methylpropyl)phenyl]-N-propylacetamide
CID 78814444
N'-cyclododecyl-N-(3-methylbutyl)butanediamide
CID 3884403
N-(3-hydroxybutyl)-2-[4-(2-methylpropyl)phenyl]acetamide
CID 111428861
3-amino-N-[3-(cyclohexylamino)-3-oxopropyl]butanamide;hydrochloride
CID 119741948
(2S)-2-amino-N-[3-(cyclohexylamino)-3-oxopropyl]propanamide;hydrochloride
CID 119299474
N-(4-hydroxycyclohexyl)-3-[(2-phenylacetyl)amino]propanamide
CID 110882867
N-(2-methoxyethyl)-2-[4-(2-methylpropyl)phenyl]acetamide
CID 78814646
N-[3-(cycloheptylamino)-3-oxopropyl]-2-methylbenzamide
CID 9082220
N-[2-(cyclopentylamino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 112990904
2-[4-(aminomethyl)phenyl]-N-cyclooctylacetamide
CID 63588883

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]propanamide?
The IUPAC name of N-cyclohexyl-3-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]propanamide (CID 60552327) is N-cyclohexyl-3-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]propanamide.
What is the SMILES notation for N-cyclohexyl-3-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]propanamide?
The canonical SMILES for N-cyclohexyl-3-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]propanamide is CC(C)Cc1ccc(CC(=O)NCCC(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-3-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]propanamide?
The InChIKey is MQRDBYRBGORAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-16(2)14-17-8-10-18(11-9-17)15-21(25)22-13-12-20(24)23-19-6-4-3-5-7-19/h8-11,16,19H,3-7,12-15H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-cyclohexyl-3-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]propanamide?
N-cyclohexyl-3-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]propanamide has a molecular weight of 344.50 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]propanamide is sourced from PubChem (CID 60552327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).