N-[4-(2-amino-1-hydroxyethyl)phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide

C22H24N2O5 — CID 87590541

IUPACN-[4-(2-amino-1-hydroxyethyl)phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
SMILESCCCc1c(OC)ccc2cc(C(=O)Nc3ccc(C(O)CN)cc3)c(=O)oc12
InChIInChI=1S/C22H24N2O5/c1-3-4-16-19(28-2)10-7-14-11-17(22(27)29-20(14)16)21(26)24-15-8-5-13(6-9-15)18(25)12-23/h5-11,18,25H,3-4,12,23H2,1-2H3,(H,24,26)
InChIKeyNASCBYOINOFEQH-UHFFFAOYSA-N
MW396.44 g/mol
LogP3.00
Rot. Bonds7

About N-[4-(2-amino-1-hydroxyethyl)phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide

N-[4-(2-amino-1-hydroxyethyl)phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide (PubChem CID 87590541) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is N-[4-(2-amino-1-hydroxyethyl)phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-1-hydroxyethyl)phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
PubChem CID87590541
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC NameN-[4-(2-amino-1-hydroxyethyl)phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
SMILESCCCc1c(OC)ccc2cc(C(=O)Nc3ccc(C(O)CN)cc3)c(=O)oc12
InChIInChI=1S/C22H24N2O5/c1-3-4-16-19(28-2)10-7-14-11-17(22(27)29-20(14)16)21(26)24-15-8-5-13(6-9-15)18(25)12-23/h5-11,18,25H,3-4,12,23H2,1-2H3,(H,24,26)
InChIKeyNASCBYOINOFEQH-UHFFFAOYSA-N
XLogP3.00
TPSA114.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-amino-1-hydroxyethyl)phenyl]-8-ethoxy-7-methoxy-2-oxochromene-3-carboxamide
CID 87589006
7-methoxy-N-[4-(1-nitrosoethyl)phenyl]-2-oxo-8-propylchromene-3-carboxamide
CID 90787276
N-[4-(hydroxymethyl)phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
CID 52932181
N-[4-[1-(aminomethyl)cyclopropyl]phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
CID 87589261
N-[4-(aminomethyl)-3-methylphenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
CID 24763189
N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
CID 173114860
N-[4-[(1S,2S)-2-amino-3-hydroxy-1-methoxypropyl]phenyl]-8-ethyl-7-methoxy-2-oxochromene-3-carboxamide
CID 87589202
N-(4-hydroxy-2-methylphenyl)-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
CID 52932448
N-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
CID 87684672
N-[4-(methanesulfonamido)-2-methylphenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
CID 52932243
N-(2-chloro-5-fluoro-3-pyridinyl)-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
CID 52931728
N-[4-(1-acetamidocyclopropyl)phenyl]-8-ethyl-7-methoxy-2-oxochromene-3-carboxamide
CID 87589718

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-1-hydroxyethyl)phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide?
The IUPAC name of N-[4-(2-amino-1-hydroxyethyl)phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide (CID 87590541) is N-[4-(2-amino-1-hydroxyethyl)phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide.
What is the SMILES notation for N-[4-(2-amino-1-hydroxyethyl)phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide?
The canonical SMILES for N-[4-(2-amino-1-hydroxyethyl)phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide is CCCc1c(OC)ccc2cc(C(=O)Nc3ccc(C(O)CN)cc3)c(=O)oc12.
What is the InChIKey of N-[4-(2-amino-1-hydroxyethyl)phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide?
The InChIKey is NASCBYOINOFEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-3-4-16-19(28-2)10-7-14-11-17(22(27)29-20(14)16)21(26)24-15-8-5-13(6-9-15)18(25)12-23/h5-11,18,25H,3-4,12,23H2,1-2H3,(H,24,26).
What are the key properties of N-[4-(2-amino-1-hydroxyethyl)phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide?
N-[4-(2-amino-1-hydroxyethyl)phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide has a molecular weight of 396.44 g/mol, XLogP of 3.00, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-1-hydroxyethyl)phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide is sourced from PubChem (CID 87590541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).