N-[(4-methylphenyl)methyl]-6-(propanoylamino)-3,4-dihydro-2H-chromene-3-carboxamide

C21H24N2O3 — CID 53123403

IUPACN-[(4-methylphenyl)methyl]-6-(propanoylamino)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCCC(=O)Nc1ccc2c(c1)CC(C(=O)NCc1ccc(C)cc1)CO2
InChIInChI=1S/C21H24N2O3/c1-3-20(24)23-18-8-9-19-16(11-18)10-17(13-26-19)21(25)22-12-15-6-4-14(2)5-7-15/h4-9,11,17H,3,10,12-13H2,1-2H3,(H,22,25)(H,23,24)
InChIKeySIOGADGGMYAZBU-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.21
Rot. Bonds5

About N-[(4-methylphenyl)methyl]-6-(propanoylamino)-3,4-dihydro-2H-chromene-3-carboxamide

N-[(4-methylphenyl)methyl]-6-(propanoylamino)-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 53123403) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-6-(propanoylamino)-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-6-(propanoylamino)-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID53123403
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[(4-methylphenyl)methyl]-6-(propanoylamino)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCCC(=O)Nc1ccc2c(c1)CC(C(=O)NCc1ccc(C)cc1)CO2
InChIInChI=1S/C21H24N2O3/c1-3-20(24)23-18-8-9-19-16(11-18)10-17(13-26-19)21(25)22-12-15-6-4-14(2)5-7-15/h4-9,11,17H,3,10,12-13H2,1-2H3,(H,22,25)(H,23,24)
InChIKeySIOGADGGMYAZBU-UHFFFAOYSA-N
XLogP3.21
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-[(4-methylphenyl)methyl]-6-(pentanoylamino)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091269
(3R)-N-[(4-methylphenyl)methyl]-6-(pentanoylamino)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091270
6-chloro-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 17461192
6-acetamido-N-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 53123420
N-[(4-fluorophenyl)methyl]-6-(3-methylbutanoylamino)-3,4-dihydro-2H-chromene-3-carboxamide
CID 53123375
methyl 2-[[(3R)-6-(butanoylamino)-3,4-dihydro-2H-chromene-3-carbonyl]amino]acetate
CID 95091078
(3R)-6-(3-methylbutanoylamino)-N-[(2-methylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091285
(3S)-N-(3-methoxypropyl)-6-[(4-methylbenzoyl)amino]-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091055
(3S)-6-(pentanoylamino)-N-(3-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091271
(3R)-6-chloro-N-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 25465679
6-ethoxy-N-[2-(4-methylphenyl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 86962053
(3S)-N-[(3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 92713196

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-6-(propanoylamino)-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-6-(propanoylamino)-3,4-dihydro-2H-chromene-3-carboxamide (CID 53123403) is N-[(4-methylphenyl)methyl]-6-(propanoylamino)-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-6-(propanoylamino)-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-6-(propanoylamino)-3,4-dihydro-2H-chromene-3-carboxamide is CCC(=O)Nc1ccc2c(c1)CC(C(=O)NCc1ccc(C)cc1)CO2.
What is the InChIKey of N-[(4-methylphenyl)methyl]-6-(propanoylamino)-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is SIOGADGGMYAZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-3-20(24)23-18-8-9-19-16(11-18)10-17(13-26-19)21(25)22-12-15-6-4-14(2)5-7-15/h4-9,11,17H,3,10,12-13H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-[(4-methylphenyl)methyl]-6-(propanoylamino)-3,4-dihydro-2H-chromene-3-carboxamide?
N-[(4-methylphenyl)methyl]-6-(propanoylamino)-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-6-(propanoylamino)-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 53123403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).