(3R)-N-[[4-(dimethylamino)phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide

C24H32N2O2 — CID 9153527

IUPAC(3R)-N-[[4-(dimethylamino)phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide
SMILESC[C@H](CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1)c1ccccc1
InChIInChI=1S/C24H32N2O2/c1-19(21-8-5-4-6-9-21)16-24(27)26(18-23-10-7-15-28-23)17-20-11-13-22(14-12-20)25(2)3/h4-6,8-9,11-14,19,23H,7,10,15-18H2,1-3H3/t19-,23+/m1/s1
InChIKeyFMTBWKOLRDZOJC-XXBNENTESA-N
MW380.53 g/mol
LogP4.45
Rot. Bonds8

About (3R)-N-[[4-(dimethylamino)phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide

(3R)-N-[[4-(dimethylamino)phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide (PubChem CID 9153527) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is (3R)-N-[[4-(dimethylamino)phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide.

Molecular Properties

Compound Name(3R)-N-[[4-(dimethylamino)phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide
PubChem CID9153527
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name(3R)-N-[[4-(dimethylamino)phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide
SMILESC[C@H](CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1)c1ccccc1
InChIInChI=1S/C24H32N2O2/c1-19(21-8-5-4-6-9-21)16-24(27)26(18-23-10-7-15-28-23)17-20-11-13-22(14-12-20)25(2)3/h4-6,8-9,11-14,19,23H,7,10,15-18H2,1-3H3/t19-,23+/m1/s1
InChIKeyFMTBWKOLRDZOJC-XXBNENTESA-N
XLogP4.45
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze (3R)-N-[[4-(dimethylamino)phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-2-(4-hydroxyphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 78806114
N-[[4-(dimethylamino)phenyl]methyl]-2-naphthalen-1-yl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 35526797
N-[[4-(dimethylamino)phenyl]methyl]-2-naphthalen-1-yl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 35526794
N-[[4-(dimethylamino)phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 9202301
N-[[4-(dimethylamino)phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 9202300
4-amino-N-benzyl-N-(oxolan-2-ylmethyl)pentanamide
CID 120561181
N-benzyl-N-(oxolan-2-ylmethyl)-3-piperidin-4-ylbutanamide
CID 119747376
N-[[4-(dimethylamino)phenyl]methyl]-2-(2-fluorophenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 40841911
2-(2-chloroanilino)-N-[[4-(dimethylamino)phenyl]methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 55437830
N-[[4-(dimethylamino)phenyl]methyl]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 19118894
(2S)-2-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide
CID 119302482
N-[[4-(dimethylamino)phenyl]methyl]-N-(oxolan-2-ylmethyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 55445900

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[4-(dimethylamino)phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide?
The IUPAC name of (3R)-N-[[4-(dimethylamino)phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide (CID 9153527) is (3R)-N-[[4-(dimethylamino)phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide.
What is the SMILES notation for (3R)-N-[[4-(dimethylamino)phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide?
The canonical SMILES for (3R)-N-[[4-(dimethylamino)phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide is C[C@H](CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1)c1ccccc1.
What is the InChIKey of (3R)-N-[[4-(dimethylamino)phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide?
The InChIKey is FMTBWKOLRDZOJC-XXBNENTESA-N. The full InChI is InChI=1S/C24H32N2O2/c1-19(21-8-5-4-6-9-21)16-24(27)26(18-23-10-7-15-28-23)17-20-11-13-22(14-12-20)25(2)3/h4-6,8-9,11-14,19,23H,7,10,15-18H2,1-3H3/t19-,23+/m1/s1.
What are the key properties of (3R)-N-[[4-(dimethylamino)phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide?
(3R)-N-[[4-(dimethylamino)phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide has a molecular weight of 380.53 g/mol, XLogP of 4.45, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[4-(dimethylamino)phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide is sourced from PubChem (CID 9153527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).