3-cyclopropyl-N-[2-(diethylamino)propyl]-3-(4-methylphenyl)propanamide

C20H32N2O — CID 110301493

IUPAC3-cyclopropyl-N-[2-(diethylamino)propyl]-3-(4-methylphenyl)propanamide
SMILESCCN(CC)C(C)CNC(=O)CC(c1ccc(C)cc1)C1CC1
InChIInChI=1S/C20H32N2O/c1-5-22(6-2)16(4)14-21-20(23)13-19(18-11-12-18)17-9-7-15(3)8-10-17/h7-10,16,18-19H,5-6,11-14H2,1-4H3,(H,21,23)
InChIKeyDOXDQYMQCFAKET-UHFFFAOYSA-N
MW316.49 g/mol
LogP3.73
Rot. Bonds9

About 3-cyclopropyl-N-[2-(diethylamino)propyl]-3-(4-methylphenyl)propanamide

3-cyclopropyl-N-[2-(diethylamino)propyl]-3-(4-methylphenyl)propanamide (PubChem CID 110301493) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is 3-cyclopropyl-N-[2-(diethylamino)propyl]-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[2-(diethylamino)propyl]-3-(4-methylphenyl)propanamide
PubChem CID110301493
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC Name3-cyclopropyl-N-[2-(diethylamino)propyl]-3-(4-methylphenyl)propanamide
SMILESCCN(CC)C(C)CNC(=O)CC(c1ccc(C)cc1)C1CC1
InChIInChI=1S/C20H32N2O/c1-5-22(6-2)16(4)14-21-20(23)13-19(18-11-12-18)17-9-7-15(3)8-10-17/h7-10,16,18-19H,5-6,11-14H2,1-4H3,(H,21,23)
InChIKeyDOXDQYMQCFAKET-UHFFFAOYSA-N
XLogP3.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-N-[2-(diethylamino)propyl]-3-(4-methoxy-3-methylphenyl)propanamide
CID 110301496
3-cyclopropyl-N-[(2S)-1-hydroxypropan-2-yl]-3-(4-methylphenyl)propanamide
CID 110306942
3-cyclopropyl-3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide
CID 110297316
N-[2-(diethylamino)propyl]-3,3-diphenylpropanamide
CID 112502151
3-cyclopropyl-3-(4-methylphenyl)-N-[2-(phenylsulfamoyl)ethyl]propanamide
CID 110615734
3-cyclopropyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide
CID 110426976
(1R,5R)-1,5-dicyclopentyl-1,5-bis(4-methylphenyl)pentan-3-one
CID 97304287
3-cyclopentyl-3-(4-methylphenyl)propanoic acid
CID 19938398
3-cyclopentyl-3-(4-methylphenyl)propanamide
CID 19938383
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3-cyclopropyl-3-(4-methylphenyl)propanamide
CID 110311105
(3R)-N-[3-(diethylamino)propyl]-3-[(4R)-2,2-dimethyloxan-4-yl]-3-(4-methylphenyl)propanamide
CID 7642717
N-[2-cyclopropyl-2-(4-methylphenyl)ethyl]-2-methylpropan-1-amine
CID 104819456

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[2-(diethylamino)propyl]-3-(4-methylphenyl)propanamide?
The IUPAC name of 3-cyclopropyl-N-[2-(diethylamino)propyl]-3-(4-methylphenyl)propanamide (CID 110301493) is 3-cyclopropyl-N-[2-(diethylamino)propyl]-3-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-cyclopropyl-N-[2-(diethylamino)propyl]-3-(4-methylphenyl)propanamide?
The canonical SMILES for 3-cyclopropyl-N-[2-(diethylamino)propyl]-3-(4-methylphenyl)propanamide is CCN(CC)C(C)CNC(=O)CC(c1ccc(C)cc1)C1CC1.
What is the InChIKey of 3-cyclopropyl-N-[2-(diethylamino)propyl]-3-(4-methylphenyl)propanamide?
The InChIKey is DOXDQYMQCFAKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O/c1-5-22(6-2)16(4)14-21-20(23)13-19(18-11-12-18)17-9-7-15(3)8-10-17/h7-10,16,18-19H,5-6,11-14H2,1-4H3,(H,21,23).
What are the key properties of 3-cyclopropyl-N-[2-(diethylamino)propyl]-3-(4-methylphenyl)propanamide?
3-cyclopropyl-N-[2-(diethylamino)propyl]-3-(4-methylphenyl)propanamide has a molecular weight of 316.49 g/mol, XLogP of 3.73, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[2-(diethylamino)propyl]-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 110301493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).