7-[[amino-[(Z)-2-amino-3-ethyl-3-hydroxypent-1-enyl]amino]methyl]-4-(4-methoxyphenyl)chromen-2-one

C24H29N3O4 — CID 143731014

IUPAC7-[[amino-[(Z)-2-amino-3-ethyl-3-hydroxypent-1-enyl]amino]methyl]-4-(4-methoxyphenyl)chromen-2-one
SMILESCCC(O)(CC)/C(N)=C/N(N)Cc1ccc2c(-c3ccc(OC)cc3)cc(=O)oc2c1
InChIInChI=1S/C24H29N3O4/c1-4-24(29,5-2)22(25)15-27(26)14-16-6-11-19-20(13-23(28)31-21(19)12-16)17-7-9-18(30-3)10-8-17/h6-13,15,29H,4-5,14,25-26H2,1-3H3/b22-15-
InChIKeyQNBKTFCEYQGBGF-JCMHNJIXSA-N
MW423.51 g/mol
LogP3.50
Rot. Bonds8

About 7-[[amino-[(Z)-2-amino-3-ethyl-3-hydroxypent-1-enyl]amino]methyl]-4-(4-methoxyphenyl)chromen-2-one

7-[[amino-[(Z)-2-amino-3-ethyl-3-hydroxypent-1-enyl]amino]methyl]-4-(4-methoxyphenyl)chromen-2-one (PubChem CID 143731014) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is 7-[[amino-[(Z)-2-amino-3-ethyl-3-hydroxypent-1-enyl]amino]methyl]-4-(4-methoxyphenyl)chromen-2-one.

Molecular Properties

Compound Name7-[[amino-[(Z)-2-amino-3-ethyl-3-hydroxypent-1-enyl]amino]methyl]-4-(4-methoxyphenyl)chromen-2-one
PubChem CID143731014
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Name7-[[amino-[(Z)-2-amino-3-ethyl-3-hydroxypent-1-enyl]amino]methyl]-4-(4-methoxyphenyl)chromen-2-one
SMILESCCC(O)(CC)/C(N)=C/N(N)Cc1ccc2c(-c3ccc(OC)cc3)cc(=O)oc2c1
InChIInChI=1S/C24H29N3O4/c1-4-24(29,5-2)22(25)15-27(26)14-16-6-11-19-20(13-23(28)31-21(19)12-16)17-7-9-18(30-3)10-8-17/h6-13,15,29H,4-5,14,25-26H2,1-3H3/b22-15-
InChIKeyQNBKTFCEYQGBGF-JCMHNJIXSA-N
XLogP3.50
TPSA114.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 7-[[amino-[(Z)-2-amino-3-ethyl-3-hydroxypent-1-enyl]amino]methyl]-4-(4-methoxyphenyl)chromen-2-one with MolForge

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Related Compounds

7-[[[5-(3-hydroxypentan-3-yl)-1,3,4-oxadiazol-2-yl]amino]methyl]-4-(4-methoxyphenyl)chromen-2-one
CID 11856709
7-[[amino-[(Z)-2-amino-3-hydroxy-3-(trifluoromethyl)pent-1-enyl]amino]methyl]-4-(5-methyl-1,2-oxazol-3-yl)chromen-2-one
CID 143730964
7-[[amino-[(Z)-2-amino-3-hydroxy-3-(trifluoromethyl)hex-1-enyl]amino]methyl]-4-(3-fluorophenyl)chromen-2-one
CID 143730947
7-[[[5-(3-hydroxypentan-3-yl)-1H-imidazol-2-yl]amino]methyl]-4-(4-methoxyphenyl)chromen-2-one
CID 141295385
4-(3,4-dimethoxyphenyl)-7-methoxychromen-2-one
CID 46879082
6-methoxy-4-(4-methoxyphenyl)chromen-2-one
CID 10516997
(2-oxo-4-phenylchromen-7-yl) 2-(4-methoxyphenoxy)acetate
CID 8839258
7-(diethylamino)-4-[4-(hydroxymethyl)phenyl]chromen-2-one
CID 72546247
N-(2,6-dimethylphenyl)-2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxyacetamide
CID 1297755
5-(carbamoylamino)-2-[[2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxyacetyl]amino]pentanoic acid
CID 3843774
2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxy-N-(pyridin-3-ylmethyl)acetamide
CID 4965250
7-(aminomethyl)-4-(4-fluorophenyl)chromen-2-one
CID 46845380

Frequently Asked Questions

What is the IUPAC name of 7-[[amino-[(Z)-2-amino-3-ethyl-3-hydroxypent-1-enyl]amino]methyl]-4-(4-methoxyphenyl)chromen-2-one?
The IUPAC name of 7-[[amino-[(Z)-2-amino-3-ethyl-3-hydroxypent-1-enyl]amino]methyl]-4-(4-methoxyphenyl)chromen-2-one (CID 143731014) is 7-[[amino-[(Z)-2-amino-3-ethyl-3-hydroxypent-1-enyl]amino]methyl]-4-(4-methoxyphenyl)chromen-2-one.
What is the SMILES notation for 7-[[amino-[(Z)-2-amino-3-ethyl-3-hydroxypent-1-enyl]amino]methyl]-4-(4-methoxyphenyl)chromen-2-one?
The canonical SMILES for 7-[[amino-[(Z)-2-amino-3-ethyl-3-hydroxypent-1-enyl]amino]methyl]-4-(4-methoxyphenyl)chromen-2-one is CCC(O)(CC)/C(N)=C/N(N)Cc1ccc2c(-c3ccc(OC)cc3)cc(=O)oc2c1.
What is the InChIKey of 7-[[amino-[(Z)-2-amino-3-ethyl-3-hydroxypent-1-enyl]amino]methyl]-4-(4-methoxyphenyl)chromen-2-one?
The InChIKey is QNBKTFCEYQGBGF-JCMHNJIXSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-4-24(29,5-2)22(25)15-27(26)14-16-6-11-19-20(13-23(28)31-21(19)12-16)17-7-9-18(30-3)10-8-17/h6-13,15,29H,4-5,14,25-26H2,1-3H3/b22-15-.
What are the key properties of 7-[[amino-[(Z)-2-amino-3-ethyl-3-hydroxypent-1-enyl]amino]methyl]-4-(4-methoxyphenyl)chromen-2-one?
7-[[amino-[(Z)-2-amino-3-ethyl-3-hydroxypent-1-enyl]amino]methyl]-4-(4-methoxyphenyl)chromen-2-one has a molecular weight of 423.51 g/mol, XLogP of 3.50, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[amino-[(Z)-2-amino-3-ethyl-3-hydroxypent-1-enyl]amino]methyl]-4-(4-methoxyphenyl)chromen-2-one is sourced from PubChem (CID 143731014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).