N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-methylbenzamide

C18H19NO2 — CID 51211932

IUPACN-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC1COc2ccccc2C1
InChIInChI=1S/C18H19NO2/c1-13-6-2-4-8-16(13)18(20)19-11-14-10-15-7-3-5-9-17(15)21-12-14/h2-9,14H,10-12H2,1H3,(H,19,20)
InChIKeyHNLTUTSLHQEFRZ-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.98
Rot. Bonds3

About N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-methylbenzamide

N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-methylbenzamide (PubChem CID 51211932) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-methylbenzamide
PubChem CID51211932
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC NameN-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC1COc2ccccc2C1
InChIInChI=1S/C18H19NO2/c1-13-6-2-4-8-16(13)18(20)19-11-14-10-15-7-3-5-9-17(15)21-12-14/h2-9,14H,10-12H2,1H3,(H,19,20)
InChIKeyHNLTUTSLHQEFRZ-UHFFFAOYSA-N
XLogP2.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-methylbenzamide 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

N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-methylfuran-2-carboxamide
CID 51241210
2-[(2-bromobenzoyl)amino]-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzamide
CID 55394934
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(2-ethoxyethoxy)benzamide
CID 72880928
1-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-ethylurea
CID 47117479
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-methylbenzamide
CID 110751726
4-chloro-N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-iodobenzamide
CID 43077937
5-bromo-N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-fluorobenzamide
CID 51212142
N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide
CID 97129298
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine-2-carboxamide
CID 99779688
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(trifluoromethyl)benzamide
CID 40918040
7-methyl-N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 74236452
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 35422359

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-methylbenzamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-methylbenzamide (CID 51211932) is N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-methylbenzamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-methylbenzamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-methylbenzamide is Cc1ccccc1C(=O)NCC1COc2ccccc2C1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-methylbenzamide?
The InChIKey is HNLTUTSLHQEFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-13-6-2-4-8-16(13)18(20)19-11-14-10-15-7-3-5-9-17(15)21-12-14/h2-9,14H,10-12H2,1H3,(H,19,20).
What are the key properties of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-methylbenzamide?
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-methylbenzamide has a molecular weight of 281.36 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-methylbenzamide is sourced from PubChem (CID 51211932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).