N-[4-(dimethylamino)phenyl]-2-(4-phenylmethoxyanilino)propanamide

C24H27N3O2 — CID 154774074

IUPACN-[4-(dimethylamino)phenyl]-2-(4-phenylmethoxyanilino)propanamide
SMILESCC(Nc1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C24H27N3O2/c1-18(24(28)26-21-9-13-22(14-10-21)27(2)3)25-20-11-15-23(16-12-20)29-17-19-7-5-4-6-8-19/h4-16,18,25H,17H2,1-3H3,(H,26,28)
InChIKeyLADLGOBWONYMHI-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.77
Rot. Bonds8

About N-[4-(dimethylamino)phenyl]-2-(4-phenylmethoxyanilino)propanamide

N-[4-(dimethylamino)phenyl]-2-(4-phenylmethoxyanilino)propanamide (PubChem CID 154774074) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2-(4-phenylmethoxyanilino)propanamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2-(4-phenylmethoxyanilino)propanamide
PubChem CID154774074
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC NameN-[4-(dimethylamino)phenyl]-2-(4-phenylmethoxyanilino)propanamide
SMILESCC(Nc1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C24H27N3O2/c1-18(24(28)26-21-9-13-22(14-10-21)27(2)3)25-20-11-15-23(16-12-20)29-17-19-7-5-4-6-8-19/h4-16,18,25H,17H2,1-3H3,(H,26,28)
InChIKeyLADLGOBWONYMHI-UHFFFAOYSA-N
XLogP4.77
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-benzodioxol-5-ylamino)-N-(4-phenylmethoxyphenyl)propanamide
CID 71903508
2-(4-phenylmethoxyanilino)propanoic acid
CID 22078170
2-[4-(dimethylamino)anilino]-N-(4-phenylmethoxyphenyl)acetamide
CID 109010303
2-(carbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide
CID 4638854
(2R)-N-(2-methoxyphenyl)-2-(4-phenylmethoxyanilino)propanamide
CID 7830477
(2R)-2-(4-acetamidoanilino)-N-[4-(dimethylamino)phenyl]propanamide
CID 41236597
(2S)-2-[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]sulfanyl-N-(4-phenylmethoxyphenyl)propanamide
CID 98384376
(2S)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-N-(4-phenylmethoxyphenyl)propanamide
CID 41104777
methyl N-[4-[[(2R)-1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl]amino]phenyl]carbamate
CID 94643027
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7149521
(2R)-N-[4-(dimethylamino)phenyl]-2-[3-(hydroxymethyl)anilino]propanamide
CID 9299409
(2S)-N-(cyclopropylcarbamoyl)-2-(4-phenylmethoxyanilino)propanamide
CID 25329518

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2-(4-phenylmethoxyanilino)propanamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2-(4-phenylmethoxyanilino)propanamide (CID 154774074) is N-[4-(dimethylamino)phenyl]-2-(4-phenylmethoxyanilino)propanamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2-(4-phenylmethoxyanilino)propanamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2-(4-phenylmethoxyanilino)propanamide is CC(Nc1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccc(N(C)C)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2-(4-phenylmethoxyanilino)propanamide?
The InChIKey is LADLGOBWONYMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-18(24(28)26-21-9-13-22(14-10-21)27(2)3)25-20-11-15-23(16-12-20)29-17-19-7-5-4-6-8-19/h4-16,18,25H,17H2,1-3H3,(H,26,28).
What are the key properties of N-[4-(dimethylamino)phenyl]-2-(4-phenylmethoxyanilino)propanamide?
N-[4-(dimethylamino)phenyl]-2-(4-phenylmethoxyanilino)propanamide has a molecular weight of 389.50 g/mol, XLogP of 4.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2-(4-phenylmethoxyanilino)propanamide is sourced from PubChem (CID 154774074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).