4-[[2-methyl-1-[4-(1-phenylethenoxymethyl)phenyl]propyl]amino]-N-propylbenzamide

C29H34N2O2 — CID 167292922

IUPAC4-[[2-methyl-1-[4-(1-phenylethenoxymethyl)phenyl]propyl]amino]-N-propylbenzamide
SMILESC=C(OCc1ccc(C(Nc2ccc(C(=O)NCCC)cc2)C(C)C)cc1)c1ccccc1
InChIInChI=1S/C29H34N2O2/c1-5-19-30-29(32)26-15-17-27(18-16-26)31-28(21(2)3)25-13-11-23(12-14-25)20-33-22(4)24-9-7-6-8-10-24/h6-18,21,28,31H,4-5,19-20H2,1-3H3,(H,30,32)
InChIKeyUNZSNOIJNGCRQW-UHFFFAOYSA-N
MW442.60 g/mol
LogP6.82
Rot. Bonds11

About 4-[[2-methyl-1-[4-(1-phenylethenoxymethyl)phenyl]propyl]amino]-N-propylbenzamide

4-[[2-methyl-1-[4-(1-phenylethenoxymethyl)phenyl]propyl]amino]-N-propylbenzamide (PubChem CID 167292922) has the molecular formula C29H34N2O2 and a molecular weight of 442.60 g/mol. Its IUPAC name is 4-[[2-methyl-1-[4-(1-phenylethenoxymethyl)phenyl]propyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name4-[[2-methyl-1-[4-(1-phenylethenoxymethyl)phenyl]propyl]amino]-N-propylbenzamide
PubChem CID167292922
Molecular FormulaC29H34N2O2
Molecular Weight442.60 g/mol
Exact Mass442.26
IUPAC Name4-[[2-methyl-1-[4-(1-phenylethenoxymethyl)phenyl]propyl]amino]-N-propylbenzamide
SMILESC=C(OCc1ccc(C(Nc2ccc(C(=O)NCCC)cc2)C(C)C)cc1)c1ccccc1
InChIInChI=1S/C29H34N2O2/c1-5-19-30-29(32)26-15-17-27(18-16-26)31-28(21(2)3)25-13-11-23(12-14-25)20-33-22(4)24-9-7-6-8-10-24/h6-18,21,28,31H,4-5,19-20H2,1-3H3,(H,30,32)
InChIKeyUNZSNOIJNGCRQW-UHFFFAOYSA-N
XLogP6.82
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.60
LogP ≤ 56.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-[[4-[[(1S)-2-methyl-1-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propyl]amino]benzoyl]amino]propanoate
CID 146250208
ethyl 3-[[4-[2-methyl-1-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)anilino]propyl]benzoyl]amino]propanoate
CID 146250382
4-[[2-methyl-1-[4-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]butyl]amino]-N-propylbenzamide
CID 166932570
4-phenylmethoxy-N-propylbenzamide
CID 4958389
3-[(4-propan-2-ylphenyl)methoxy]-N-propylbenzamide
CID 86031288
3-[[4-[[(1S)-1-[4-(1,3-benzoxazol-2-yl)phenyl]-2-methylpropyl]amino]benzoyl]amino]propanoic acid
CID 146236732
N-(2-benzamidoethyl)-4-ethylbenzamide
CID 84532761
4-[(3-amino-3-phenylpropanoyl)amino]-N-propylbenzamide
CID 119950298
benzyl N-(2-benzamidoethyl)carbamate
CID 12715872
(E)-but-2-enedioic acid;N-propylbenzamide
CID 69498373
propan-2-yl 4-[(4-benzamidobenzoyl)oxymethyl]benzoate
CID 2199290
1-N,4-N-bis[4-(propylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 17219360

Frequently Asked Questions

What is the IUPAC name of 4-[[2-methyl-1-[4-(1-phenylethenoxymethyl)phenyl]propyl]amino]-N-propylbenzamide?
The IUPAC name of 4-[[2-methyl-1-[4-(1-phenylethenoxymethyl)phenyl]propyl]amino]-N-propylbenzamide (CID 167292922) is 4-[[2-methyl-1-[4-(1-phenylethenoxymethyl)phenyl]propyl]amino]-N-propylbenzamide.
What is the SMILES notation for 4-[[2-methyl-1-[4-(1-phenylethenoxymethyl)phenyl]propyl]amino]-N-propylbenzamide?
The canonical SMILES for 4-[[2-methyl-1-[4-(1-phenylethenoxymethyl)phenyl]propyl]amino]-N-propylbenzamide is C=C(OCc1ccc(C(Nc2ccc(C(=O)NCCC)cc2)C(C)C)cc1)c1ccccc1.
What is the InChIKey of 4-[[2-methyl-1-[4-(1-phenylethenoxymethyl)phenyl]propyl]amino]-N-propylbenzamide?
The InChIKey is UNZSNOIJNGCRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O2/c1-5-19-30-29(32)26-15-17-27(18-16-26)31-28(21(2)3)25-13-11-23(12-14-25)20-33-22(4)24-9-7-6-8-10-24/h6-18,21,28,31H,4-5,19-20H2,1-3H3,(H,30,32).
What are the key properties of 4-[[2-methyl-1-[4-(1-phenylethenoxymethyl)phenyl]propyl]amino]-N-propylbenzamide?
4-[[2-methyl-1-[4-(1-phenylethenoxymethyl)phenyl]propyl]amino]-N-propylbenzamide has a molecular weight of 442.60 g/mol, XLogP of 6.82, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methyl-1-[4-(1-phenylethenoxymethyl)phenyl]propyl]amino]-N-propylbenzamide is sourced from PubChem (CID 167292922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).