N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(2-methyltetrazol-5-yl)benzamide

C20H21N5O3 — CID 97118057

IUPACN-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(2-methyltetrazol-5-yl)benzamide
SMILESCOc1ccc2c(c1)OC[C@@H](CNC(=O)c1ccc(-c3nnn(C)n3)cc1)C2
InChIInChI=1S/C20H21N5O3/c1-25-23-19(22-24-25)14-3-5-15(6-4-14)20(26)21-11-13-9-16-7-8-17(27-2)10-18(16)28-12-13/h3-8,10,13H,9,11-12H2,1-2H3,(H,21,26)/t13-/m1/s1
InChIKeyHUQHBUZXORRWCQ-CYBMUJFWSA-N
MW379.42 g/mol
LogP1.87
Rot. Bonds5

About N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(2-methyltetrazol-5-yl)benzamide

N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(2-methyltetrazol-5-yl)benzamide (PubChem CID 97118057) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(2-methyltetrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(2-methyltetrazol-5-yl)benzamide
PubChem CID97118057
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC NameN-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(2-methyltetrazol-5-yl)benzamide
SMILESCOc1ccc2c(c1)OC[C@@H](CNC(=O)c1ccc(-c3nnn(C)n3)cc1)C2
InChIInChI=1S/C20H21N5O3/c1-25-23-19(22-24-25)14-3-5-15(6-4-14)20(26)21-11-13-9-16-7-8-17(27-2)10-18(16)28-12-13/h3-8,10,13H,9,11-12H2,1-2H3,(H,21,26)/t13-/m1/s1
InChIKeyHUQHBUZXORRWCQ-CYBMUJFWSA-N
XLogP1.87
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(2-methyltetrazol-5-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

N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(tetrazol-1-yl)benzamide
CID 97149544
N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine-4-carboxamide
CID 97142134
N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(4-methylpiperazin-1-yl)benzamide
CID 97123602
N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 72855713
N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]thiophene-3-carboxamide
CID 72888189
2-(hydroxymethyl)-N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3H-benzimidazole-5-carboxamide
CID 97280412
N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-(6-methylpyridazin-3-yl)benzamide
CID 169414913
N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 97275918
N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 97275919
2-amino-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-methylpropanamide
CID 72923552
N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 97122083
4-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methylcarbamoyl]-1H-imidazole-5-carboxylic acid
CID 74240064

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(2-methyltetrazol-5-yl)benzamide?
The IUPAC name of N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(2-methyltetrazol-5-yl)benzamide (CID 97118057) is N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(2-methyltetrazol-5-yl)benzamide.
What is the SMILES notation for N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(2-methyltetrazol-5-yl)benzamide?
The canonical SMILES for N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(2-methyltetrazol-5-yl)benzamide is COc1ccc2c(c1)OC[C@@H](CNC(=O)c1ccc(-c3nnn(C)n3)cc1)C2.
What is the InChIKey of N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(2-methyltetrazol-5-yl)benzamide?
The InChIKey is HUQHBUZXORRWCQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-25-23-19(22-24-25)14-3-5-15(6-4-14)20(26)21-11-13-9-16-7-8-17(27-2)10-18(16)28-12-13/h3-8,10,13H,9,11-12H2,1-2H3,(H,21,26)/t13-/m1/s1.
What are the key properties of N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(2-methyltetrazol-5-yl)benzamide?
N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(2-methyltetrazol-5-yl)benzamide has a molecular weight of 379.42 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(2-methyltetrazol-5-yl)benzamide is sourced from PubChem (CID 97118057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).