N-[2-(4-methoxyphenyl)ethyl]-4-oxochromene-2-carboxamide

C19H17NO4 — CID 11638378

IUPACN-[2-(4-methoxyphenyl)ethyl]-4-oxochromene-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(=O)c3ccccc3o2)cc1
InChIInChI=1S/C19H17NO4/c1-23-14-8-6-13(7-9-14)10-11-20-19(22)18-12-16(21)15-4-2-3-5-17(15)24-18/h2-9,12H,10-11H2,1H3,(H,20,22)
InChIKeyQDDQKBNHAJFYHC-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.77
Rot. Bonds5

About N-[2-(4-methoxyphenyl)ethyl]-4-oxochromene-2-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-4-oxochromene-2-carboxamide (PubChem CID 11638378) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-4-oxochromene-2-carboxamide
PubChem CID11638378
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-4-oxochromene-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(=O)c3ccccc3o2)cc1
InChIInChI=1S/C19H17NO4/c1-23-14-8-6-13(7-9-14)10-11-20-19(22)18-12-16(21)15-4-2-3-5-17(15)24-18/h2-9,12H,10-11H2,1H3,(H,20,22)
InChIKeyQDDQKBNHAJFYHC-UHFFFAOYSA-N
XLogP2.77
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-4-oxochromene-2-carboxamide
CID 11253603
N-[1-(4-methoxyphenyl)propyl]-4-oxochromene-2-carboxamide
CID 78798389
N-[3-(ethylamino)propyl]-4-oxochromene-2-carboxamide
CID 43601604
N-(4-hydroxypentyl)-4-oxochromene-2-carboxamide
CID 107300405
N-[2-(4-methoxyphenyl)ethyl]naphthalene-1-carboxamide
CID 2231008
N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-benzofuran-2-carboxamide
CID 71480807
N-[3-(dimethylamino)propyl]-6-methoxy-4-oxochromene-2-carboxamide
CID 11854024
N'-(2-carbamoyl-1-benzofuran-3-yl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 18587367
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-oxochromene-2-carboxamide
CID 3550447
N-[(4-methoxyphenyl)methyl]-4-oxo-N-prop-2-enylchromene-2-carboxamide
CID 47064295
[(2R)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 6-methyl-4-oxochromene-2-carboxylate
CID 9384410
N-[[4-(dimethylamino)phenyl]methyl]-4-oxochromene-2-carboxamide
CID 17469485

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-4-oxochromene-2-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-4-oxochromene-2-carboxamide (CID 11638378) is N-[2-(4-methoxyphenyl)ethyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-4-oxochromene-2-carboxamide is COc1ccc(CCNC(=O)c2cc(=O)c3ccccc3o2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-4-oxochromene-2-carboxamide?
The InChIKey is QDDQKBNHAJFYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-23-14-8-6-13(7-9-14)10-11-20-19(22)18-12-16(21)15-4-2-3-5-17(15)24-18/h2-9,12H,10-11H2,1H3,(H,20,22).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-4-oxochromene-2-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-4-oxochromene-2-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 11638378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).