N-benzyl-3,4,5-trimethoxy-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]benzamide

C27H31NO5 — CID 52501698

IUPACN-benzyl-3,4,5-trimethoxy-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]benzamide
SMILESCOc1ccccc1C[C@@H](C)N(Cc1ccccc1)C(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C27H31NO5/c1-19(15-21-13-9-10-14-23(21)30-2)28(18-20-11-7-6-8-12-20)27(29)22-16-24(31-3)26(33-5)25(17-22)32-4/h6-14,16-17,19H,15,18H2,1-5H3/t19-/m1/s1
InChIKeyJNJNLESTULZCHA-LJQANCHMSA-N
MW449.55 g/mol
LogP4.99
Rot. Bonds10

About N-benzyl-3,4,5-trimethoxy-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]benzamide

N-benzyl-3,4,5-trimethoxy-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]benzamide (PubChem CID 52501698) has the molecular formula C27H31NO5 and a molecular weight of 449.55 g/mol. Its IUPAC name is N-benzyl-3,4,5-trimethoxy-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]benzamide.

Molecular Properties

Compound NameN-benzyl-3,4,5-trimethoxy-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]benzamide
PubChem CID52501698
Molecular FormulaC27H31NO5
Molecular Weight449.55 g/mol
Exact Mass449.22
IUPAC NameN-benzyl-3,4,5-trimethoxy-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]benzamide
SMILESCOc1ccccc1C[C@@H](C)N(Cc1ccccc1)C(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C27H31NO5/c1-19(15-21-13-9-10-14-23(21)30-2)28(18-20-11-7-6-8-12-20)27(29)22-16-24(31-3)26(33-5)25(17-22)32-4/h6-14,16-17,19H,15,18H2,1-5H3/t19-/m1/s1
InChIKeyJNJNLESTULZCHA-LJQANCHMSA-N
XLogP4.99
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-benzyl-3,4,5-trimethoxy-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]benzamide 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

methyl (2S)-2-[benzyl-(3,4,5-trimethoxybenzoyl)amino]propanoate
CID 71905565
2-amino-N-benzyl-N-[1-(2-methoxyphenyl)propan-2-yl]acetamide;hydrochloride
CID 119309200
N-benzyl-3,4,5-trimethoxy-N-methylbenzamide
CID 669607
4-(2-amino-2-oxoethoxy)-N-benzyl-3,5-dimethoxy-N-propan-2-ylbenzamide
CID 30100434
(2S)-N,N-dibenzyl-2-methyl-3-oxo-3-(3,4,5-trimethoxyphenyl)propanamide
CID 986606
1-benzyl-3-[(2-methoxyphenyl)methyl]-1-propan-2-ylurea
CID 108897327
N-benzyl-3,4-dimethoxy-N-propan-2-ylbenzamide
CID 807482
N-benzyl-N-[1-(2-methoxyphenyl)propan-2-yl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 47087025
(3R)-N-benzyl-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]oxolane-3-carboxamide
CID 52849838
5-[ethyl-[1-(2-methoxyphenyl)propan-2-yl]amino]pentan-1-ol;3,4,5-trimethoxybenzoic acid
CID 21152653
1-benzyl-3-[2-(2,3-dimethoxyphenoxy)ethyl]-1-propan-2-ylurea
CID 112975497
N-benzyl-N-[1-(2-methoxyphenyl)propan-2-yl]piperidine-3-carboxamide
CID 119309205

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3,4,5-trimethoxy-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]benzamide?
The IUPAC name of N-benzyl-3,4,5-trimethoxy-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]benzamide (CID 52501698) is N-benzyl-3,4,5-trimethoxy-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]benzamide.
What is the SMILES notation for N-benzyl-3,4,5-trimethoxy-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]benzamide?
The canonical SMILES for N-benzyl-3,4,5-trimethoxy-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]benzamide is COc1ccccc1C[C@@H](C)N(Cc1ccccc1)C(=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of N-benzyl-3,4,5-trimethoxy-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]benzamide?
The InChIKey is JNJNLESTULZCHA-LJQANCHMSA-N. The full InChI is InChI=1S/C27H31NO5/c1-19(15-21-13-9-10-14-23(21)30-2)28(18-20-11-7-6-8-12-20)27(29)22-16-24(31-3)26(33-5)25(17-22)32-4/h6-14,16-17,19H,15,18H2,1-5H3/t19-/m1/s1.
What are the key properties of N-benzyl-3,4,5-trimethoxy-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]benzamide?
N-benzyl-3,4,5-trimethoxy-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]benzamide has a molecular weight of 449.55 g/mol, XLogP of 4.99, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3,4,5-trimethoxy-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]benzamide is sourced from PubChem (CID 52501698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).