(3R)-N-cyclopropyl-3-(dibenzylamino)hexanamide

C23H30N2O — CID 123555855

IUPAC(3R)-N-cyclopropyl-3-(dibenzylamino)hexanamide
SMILESCCC[C@H](CC(=O)NC1CC1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H30N2O/c1-2-9-22(16-23(26)24-21-14-15-21)25(17-19-10-5-3-6-11-19)18-20-12-7-4-8-13-20/h3-8,10-13,21-22H,2,9,14-18H2,1H3,(H,24,26)/t22-/m1/s1
InChIKeyNDMYTYHMWFFOKH-JOCHJYFZSA-N
MW350.51 g/mol
LogP4.53
Rot. Bonds10

About (3R)-N-cyclopropyl-3-(dibenzylamino)hexanamide

(3R)-N-cyclopropyl-3-(dibenzylamino)hexanamide (PubChem CID 123555855) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is (3R)-N-cyclopropyl-3-(dibenzylamino)hexanamide.

Molecular Properties

Compound Name(3R)-N-cyclopropyl-3-(dibenzylamino)hexanamide
PubChem CID123555855
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC Name(3R)-N-cyclopropyl-3-(dibenzylamino)hexanamide
SMILESCCC[C@H](CC(=O)NC1CC1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H30N2O/c1-2-9-22(16-23(26)24-21-14-15-21)25(17-19-10-5-3-6-11-19)18-20-12-7-4-8-13-20/h3-8,10-13,21-22H,2,9,14-18H2,1H3,(H,24,26)/t22-/m1/s1
InChIKeyNDMYTYHMWFFOKH-JOCHJYFZSA-N
XLogP4.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4R)-3-[benzyl-[(1S)-1-phenylethyl]amino]-N-cyclopropyl-4-methylheptanamide
CID 126634358
benzyl N-[(3S)-1-(cyclopropylamino)-1-oxohexan-3-yl]carbamate
CID 71168695
N-cyclopropyl-2-phenylacetamide
CID 5175687
2-[benzyl(methyl)amino]-N-cyclohexylacetamide
CID 54808837
2-amino-N-[4-[benzyl(ethyl)amino]cyclohexyl]acetamide
CID 66567128
N-cyclopropyl-3-methylhexanamide
CID 155359047
2-amino-N-[4-[benzyl(propan-2-yl)amino]cyclohexyl]acetamide
CID 66564020
N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 78786023
2-[benzyl(propan-2-yl)amino]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide
CID 60505073
N'-benzyl-N-cyclopentyl-N'-methylpropanediamide
CID 108942140
2-[3-[benzyl(methyl)amino]propylamino]-N-cyclopropylacetamide
CID 28577554
2-[benzyl(cyclohexyl)amino]-N-cyclopropylacetamide
CID 60522706

Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclopropyl-3-(dibenzylamino)hexanamide?
The IUPAC name of (3R)-N-cyclopropyl-3-(dibenzylamino)hexanamide (CID 123555855) is (3R)-N-cyclopropyl-3-(dibenzylamino)hexanamide.
What is the SMILES notation for (3R)-N-cyclopropyl-3-(dibenzylamino)hexanamide?
The canonical SMILES for (3R)-N-cyclopropyl-3-(dibenzylamino)hexanamide is CCC[C@H](CC(=O)NC1CC1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (3R)-N-cyclopropyl-3-(dibenzylamino)hexanamide?
The InChIKey is NDMYTYHMWFFOKH-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H30N2O/c1-2-9-22(16-23(26)24-21-14-15-21)25(17-19-10-5-3-6-11-19)18-20-12-7-4-8-13-20/h3-8,10-13,21-22H,2,9,14-18H2,1H3,(H,24,26)/t22-/m1/s1.
What are the key properties of (3R)-N-cyclopropyl-3-(dibenzylamino)hexanamide?
(3R)-N-cyclopropyl-3-(dibenzylamino)hexanamide has a molecular weight of 350.51 g/mol, XLogP of 4.53, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cyclopropyl-3-(dibenzylamino)hexanamide is sourced from PubChem (CID 123555855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).