N-(1-benzofuran-2-ylmethyl)-4-benzyl-N-phenylmorpholine-2-carboxamide

C27H26N2O3 — CID 42793624

IUPACN-(1-benzofuran-2-ylmethyl)-4-benzyl-N-phenylmorpholine-2-carboxamide
SMILESO=C(C1CN(Cc2ccccc2)CCO1)N(Cc1cc2ccccc2o1)c1ccccc1
InChIInChI=1S/C27H26N2O3/c30-27(26-20-28(15-16-31-26)18-21-9-3-1-4-10-21)29(23-12-5-2-6-13-23)19-24-17-22-11-7-8-14-25(22)32-24/h1-14,17,26H,15-16,18-20H2
InChIKeyUUAWVBQJBCXGAV-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.87
Rot. Bonds6

About N-(1-benzofuran-2-ylmethyl)-4-benzyl-N-phenylmorpholine-2-carboxamide

N-(1-benzofuran-2-ylmethyl)-4-benzyl-N-phenylmorpholine-2-carboxamide (PubChem CID 42793624) has the molecular formula C27H26N2O3 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethyl)-4-benzyl-N-phenylmorpholine-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethyl)-4-benzyl-N-phenylmorpholine-2-carboxamide
PubChem CID42793624
Molecular FormulaC27H26N2O3
Molecular Weight426.52 g/mol
Exact Mass426.19
IUPAC NameN-(1-benzofuran-2-ylmethyl)-4-benzyl-N-phenylmorpholine-2-carboxamide
SMILESO=C(C1CN(Cc2ccccc2)CCO1)N(Cc1cc2ccccc2o1)c1ccccc1
InChIInChI=1S/C27H26N2O3/c30-27(26-20-28(15-16-31-26)18-21-9-3-1-4-10-21)29(23-12-5-2-6-13-23)19-24-17-22-11-7-8-14-25(22)32-24/h1-14,17,26H,15-16,18-20H2
InChIKeyUUAWVBQJBCXGAV-UHFFFAOYSA-N
XLogP4.87
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(1-benzofuran-2-ylmethyl)-4-benzyl-N-phenylmorpholine-2-carboxamide 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

2-[[(2S)-4-benzylmorpholine-2-carbonyl]-methylamino]acetic acid
CID 124589089
[(2S)-4-benzylmorpholin-2-yl]-phenylmethanone;(4-benzylmorpholin-2-yl)-phenylmethanone
CID 158902777
2-[(4-benzylmorpholine-2-carbonyl)-methylamino]propanoic acid
CID 119359267
4-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(2-methylphenyl)morpholine-2-carboxamide
CID 42793697
4-benzyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)morpholine-2-carboxamide
CID 111596452
4-benzyl-N,N-dimethylmorpholine-2-carboxamide;N,N-dimethylmorpholine-2-carboxamide
CID 161414096
4-benzyl-N-(cyclopentylmethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholine-2-carboxamide
CID 16755166
4-benzyl-N-cyclopentyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholine-2-carboxamide
CID 16755584
N-[1-[(2S)-4-benzylmorpholin-2-yl]ethylidene]hydroxylamine
CID 124748373
4-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(2,2-dimethylpropyl)morpholine-2-carboxamide
CID 16755586
4-[3-(1-benzofuran-2-yl)propanoyl]morpholine-2-carboxylic acid
CID 119239465
(2S)-4-benzyl-N'-hydroxymorpholine-2-carboximidamide
CID 51530238

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-ylmethyl)-4-benzyl-N-phenylmorpholine-2-carboxamide?
The IUPAC name of N-(1-benzofuran-2-ylmethyl)-4-benzyl-N-phenylmorpholine-2-carboxamide (CID 42793624) is N-(1-benzofuran-2-ylmethyl)-4-benzyl-N-phenylmorpholine-2-carboxamide.
What is the SMILES notation for N-(1-benzofuran-2-ylmethyl)-4-benzyl-N-phenylmorpholine-2-carboxamide?
The canonical SMILES for N-(1-benzofuran-2-ylmethyl)-4-benzyl-N-phenylmorpholine-2-carboxamide is O=C(C1CN(Cc2ccccc2)CCO1)N(Cc1cc2ccccc2o1)c1ccccc1.
What is the InChIKey of N-(1-benzofuran-2-ylmethyl)-4-benzyl-N-phenylmorpholine-2-carboxamide?
The InChIKey is UUAWVBQJBCXGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O3/c30-27(26-20-28(15-16-31-26)18-21-9-3-1-4-10-21)29(23-12-5-2-6-13-23)19-24-17-22-11-7-8-14-25(22)32-24/h1-14,17,26H,15-16,18-20H2.
What are the key properties of N-(1-benzofuran-2-ylmethyl)-4-benzyl-N-phenylmorpholine-2-carboxamide?
N-(1-benzofuran-2-ylmethyl)-4-benzyl-N-phenylmorpholine-2-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-ylmethyl)-4-benzyl-N-phenylmorpholine-2-carboxamide is sourced from PubChem (CID 42793624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).