N-[2-(cyclopropylmethoxy)phenyl]-5-ethynyl-2-methoxybenzamide

C20H19NO3 — CID 167979431

IUPACN-[2-(cyclopropylmethoxy)phenyl]-5-ethynyl-2-methoxybenzamide
SMILESC#Cc1ccc(OC)c(C(=O)Nc2ccccc2OCC2CC2)c1
InChIInChI=1S/C20H19NO3/c1-3-14-10-11-18(23-2)16(12-14)20(22)21-17-6-4-5-7-19(17)24-13-15-8-9-15/h1,4-7,10-12,15H,8-9,13H2,2H3,(H,21,22)
InChIKeyBTWVALYTMKYLNK-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.72
Rot. Bonds6

About N-[2-(cyclopropylmethoxy)phenyl]-5-ethynyl-2-methoxybenzamide

N-[2-(cyclopropylmethoxy)phenyl]-5-ethynyl-2-methoxybenzamide (PubChem CID 167979431) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[2-(cyclopropylmethoxy)phenyl]-5-ethynyl-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(cyclopropylmethoxy)phenyl]-5-ethynyl-2-methoxybenzamide
PubChem CID167979431
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC NameN-[2-(cyclopropylmethoxy)phenyl]-5-ethynyl-2-methoxybenzamide
SMILESC#Cc1ccc(OC)c(C(=O)Nc2ccccc2OCC2CC2)c1
InChIInChI=1S/C20H19NO3/c1-3-14-10-11-18(23-2)16(12-14)20(22)21-17-6-4-5-7-19(17)24-13-15-8-9-15/h1,4-7,10-12,15H,8-9,13H2,2H3,(H,21,22)
InChIKeyBTWVALYTMKYLNK-UHFFFAOYSA-N
XLogP3.72
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[2-(cyclopropylmethoxy)phenyl]-5-ethynyl-2-methoxybenzamide 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

1-N,3-N-bis(2-ethoxyphenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 141155437
5-ethynyl-N-[5-[(5-ethynyl-2-octoxybenzoyl)amino]-2,4-dimethoxyphenyl]-2-octoxybenzamide
CID 101351649
2-methoxy-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386282
N-[2-(cyclopropylmethoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119332686
N-[2-(cyclopropylmethoxy)phenyl]-2-(dimethylamino)acetamide
CID 91661447
N-[2-(cyclopropylmethoxy)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119799501
5-bromo-2-methoxy-N-(2-phenylmethoxyphenyl)benzamide
CID 17094328
4-N-(2-ethoxyphenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109151014
2-bromo-1-(cyclopropylmethoxy)-4-ethynylbenzene
CID 138985603
N-[2-(difluoromethoxy)phenyl]-5-fluoro-2-methoxybenzamide
CID 31079743
2-methoxy-N-[2-methoxy-4-[3-methoxy-4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 1119717
1-[[2-(cyclopropylmethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122085447

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylmethoxy)phenyl]-5-ethynyl-2-methoxybenzamide?
The IUPAC name of N-[2-(cyclopropylmethoxy)phenyl]-5-ethynyl-2-methoxybenzamide (CID 167979431) is N-[2-(cyclopropylmethoxy)phenyl]-5-ethynyl-2-methoxybenzamide.
What is the SMILES notation for N-[2-(cyclopropylmethoxy)phenyl]-5-ethynyl-2-methoxybenzamide?
The canonical SMILES for N-[2-(cyclopropylmethoxy)phenyl]-5-ethynyl-2-methoxybenzamide is C#Cc1ccc(OC)c(C(=O)Nc2ccccc2OCC2CC2)c1.
What is the InChIKey of N-[2-(cyclopropylmethoxy)phenyl]-5-ethynyl-2-methoxybenzamide?
The InChIKey is BTWVALYTMKYLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-3-14-10-11-18(23-2)16(12-14)20(22)21-17-6-4-5-7-19(17)24-13-15-8-9-15/h1,4-7,10-12,15H,8-9,13H2,2H3,(H,21,22).
What are the key properties of N-[2-(cyclopropylmethoxy)phenyl]-5-ethynyl-2-methoxybenzamide?
N-[2-(cyclopropylmethoxy)phenyl]-5-ethynyl-2-methoxybenzamide has a molecular weight of 321.38 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylmethoxy)phenyl]-5-ethynyl-2-methoxybenzamide is sourced from PubChem (CID 167979431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).