methyl 2-[3-[4-[(1-methylpyrrole-2-carbonyl)amino]-3,4-dihydro-2H-chromen-6-yl]phenyl]acetate

C24H24N2O4 — CID 172669078

IUPACmethyl 2-[3-[4-[(1-methylpyrrole-2-carbonyl)amino]-3,4-dihydro-2H-chromen-6-yl]phenyl]acetate
SMILESCOC(=O)Cc1cccc(-c2ccc3c(c2)C(NC(=O)c2cccn2C)CCO3)c1
InChIInChI=1S/C24H24N2O4/c1-26-11-4-7-21(26)24(28)25-20-10-12-30-22-9-8-18(15-19(20)22)17-6-3-5-16(13-17)14-23(27)29-2/h3-9,11,13,15,20H,10,12,14H2,1-2H3,(H,25,28)
InChIKeyGBEFLSLKJWFAOZ-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.66
Rot. Bonds5

About methyl 2-[3-[4-[(1-methylpyrrole-2-carbonyl)amino]-3,4-dihydro-2H-chromen-6-yl]phenyl]acetate

methyl 2-[3-[4-[(1-methylpyrrole-2-carbonyl)amino]-3,4-dihydro-2H-chromen-6-yl]phenyl]acetate (PubChem CID 172669078) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is methyl 2-[3-[4-[(1-methylpyrrole-2-carbonyl)amino]-3,4-dihydro-2H-chromen-6-yl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[4-[(1-methylpyrrole-2-carbonyl)amino]-3,4-dihydro-2H-chromen-6-yl]phenyl]acetate
PubChem CID172669078
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Namemethyl 2-[3-[4-[(1-methylpyrrole-2-carbonyl)amino]-3,4-dihydro-2H-chromen-6-yl]phenyl]acetate
SMILESCOC(=O)Cc1cccc(-c2ccc3c(c2)C(NC(=O)c2cccn2C)CCO3)c1
InChIInChI=1S/C24H24N2O4/c1-26-11-4-7-21(26)24(28)25-20-10-12-30-22-9-8-18(15-19(20)22)17-6-3-5-16(13-17)14-23(27)29-2/h3-9,11,13,15,20H,10,12,14H2,1-2H3,(H,25,28)
InChIKeyGBEFLSLKJWFAOZ-UHFFFAOYSA-N
XLogP3.66
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)acetamide
CID 108734105
N-[6-(4-ethylphenyl)-3,4-dihydro-2H-chromen-4-yl]-5-methyl-1H-pyrazole-3-carboxamide
CID 172672021
N-[6-(3-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 172671769
1-methyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]pyrrole-2-carboxamide
CID 95274864
[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 46828754
[1-(3,4-dihydro-2H-chromen-4-ylamino)-1-oxopropan-2-yl] 2-naphthalen-2-ylacetate
CID 55526216
N-(3,4-dihydro-2H-chromen-4-yl)-3-(3-methoxyphenyl)propanamide
CID 110750844
1-[6-[3-(piperidine-1-carbonyl)phenyl]-3,4-dihydro-2H-chromen-4-yl]-3-propan-2-ylurea
CID 172669246
N-[(4S)-6-bromo-3,4-dihydro-2H-chromen-4-yl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 52533059
[(3S)-1-azabicyclo[2.2.2]octan-3-yl] N-[6-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-yl]carbamate
CID 156740189
2-benzylsulfanyl-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 18164391
formamide;methyl 2-(3-phenylphenyl)acetate
CID 169199106

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[4-[(1-methylpyrrole-2-carbonyl)amino]-3,4-dihydro-2H-chromen-6-yl]phenyl]acetate?
The IUPAC name of methyl 2-[3-[4-[(1-methylpyrrole-2-carbonyl)amino]-3,4-dihydro-2H-chromen-6-yl]phenyl]acetate (CID 172669078) is methyl 2-[3-[4-[(1-methylpyrrole-2-carbonyl)amino]-3,4-dihydro-2H-chromen-6-yl]phenyl]acetate.
What is the SMILES notation for methyl 2-[3-[4-[(1-methylpyrrole-2-carbonyl)amino]-3,4-dihydro-2H-chromen-6-yl]phenyl]acetate?
The canonical SMILES for methyl 2-[3-[4-[(1-methylpyrrole-2-carbonyl)amino]-3,4-dihydro-2H-chromen-6-yl]phenyl]acetate is COC(=O)Cc1cccc(-c2ccc3c(c2)C(NC(=O)c2cccn2C)CCO3)c1.
What is the InChIKey of methyl 2-[3-[4-[(1-methylpyrrole-2-carbonyl)amino]-3,4-dihydro-2H-chromen-6-yl]phenyl]acetate?
The InChIKey is GBEFLSLKJWFAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-26-11-4-7-21(26)24(28)25-20-10-12-30-22-9-8-18(15-19(20)22)17-6-3-5-16(13-17)14-23(27)29-2/h3-9,11,13,15,20H,10,12,14H2,1-2H3,(H,25,28).
What are the key properties of methyl 2-[3-[4-[(1-methylpyrrole-2-carbonyl)amino]-3,4-dihydro-2H-chromen-6-yl]phenyl]acetate?
methyl 2-[3-[4-[(1-methylpyrrole-2-carbonyl)amino]-3,4-dihydro-2H-chromen-6-yl]phenyl]acetate has a molecular weight of 404.47 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[4-[(1-methylpyrrole-2-carbonyl)amino]-3,4-dihydro-2H-chromen-6-yl]phenyl]acetate is sourced from PubChem (CID 172669078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).