N-[[4-(dimethylamino)phenyl]methyl]-N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]propanamide

C25H30N2O2 — CID 1426584

IUPACN-[[4-(dimethylamino)phenyl]methyl]-N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]propanamide
SMILESCCC(=O)N(CC[C@H](c1ccccc1)c1ccco1)Cc1ccc(N(C)C)cc1
InChIInChI=1S/C25H30N2O2/c1-4-25(28)27(19-20-12-14-22(15-13-20)26(2)3)17-16-23(24-11-8-18-29-24)21-9-6-5-7-10-21/h5-15,18,23H,4,16-17,19H2,1-3H3/t23-/m1/s1
InChIKeyDGJDFSUKHKDOAJ-HSZRJFAPSA-N
MW390.53 g/mol
LogP5.31
Rot. Bonds9

About N-[[4-(dimethylamino)phenyl]methyl]-N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]propanamide

N-[[4-(dimethylamino)phenyl]methyl]-N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]propanamide (PubChem CID 1426584) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]propanamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]propanamide
PubChem CID1426584
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]propanamide
SMILESCCC(=O)N(CC[C@H](c1ccccc1)c1ccco1)Cc1ccc(N(C)C)cc1
InChIInChI=1S/C25H30N2O2/c1-4-25(28)27(19-20-12-14-22(15-13-20)26(2)3)17-16-23(24-11-8-18-29-24)21-9-6-5-7-10-21/h5-15,18,23H,4,16-17,19H2,1-3H3/t23-/m1/s1
InChIKeyDGJDFSUKHKDOAJ-HSZRJFAPSA-N
XLogP5.31
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 55.31
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 N-[[4-(dimethylamino)phenyl]methyl]-N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]propanamide 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]-N-[(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]propanamide
CID 1427599
N-benzyl-N-[3-(furan-2-yl)-3-(4-methylphenyl)propyl]propanamide
CID 2938663
N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-N-[(2-fluorophenyl)methyl]propanamide
CID 1384951
N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-N-(thiophen-2-ylmethyl)propanamide
CID 4553376
N-[[4-(dimethylamino)phenyl]methyl]-N-[(3R)-3-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propyl]propanamide
CID 40877913
N-[3-(furan-2-yl)-3-phenylpropyl]-N-[(4-methoxyphenyl)methyl]furan-3-carboxamide
CID 2937179
N-(furan-2-ylmethyl)-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]propanamide
CID 3841014
N-[[4-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-2-methylpropanamide
CID 39834735
3-[[4-(dimethylamino)phenyl]methyl-methylamino]-1-phenylpropan-1-ol
CID 11347068
N-[[4-(dimethylamino)phenyl]methyl]-2-phenyl-N-(2-phenylethyl)acetamide
CID 42706280
N-benzyl-N-butylpropanamide
CID 12502571
N-benzyl-N-(2-chloroethyl)propanamide
CID 63390961

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]propanamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]propanamide (CID 1426584) is N-[[4-(dimethylamino)phenyl]methyl]-N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]propanamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]propanamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]propanamide is CCC(=O)N(CC[C@H](c1ccccc1)c1ccco1)Cc1ccc(N(C)C)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]propanamide?
The InChIKey is DGJDFSUKHKDOAJ-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-4-25(28)27(19-20-12-14-22(15-13-20)26(2)3)17-16-23(24-11-8-18-29-24)21-9-6-5-7-10-21/h5-15,18,23H,4,16-17,19H2,1-3H3/t23-/m1/s1.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]propanamide?
N-[[4-(dimethylamino)phenyl]methyl]-N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]propanamide has a molecular weight of 390.53 g/mol, XLogP of 5.31, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]propanamide is sourced from PubChem (CID 1426584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).