4-(4-butyl-6-hydroxy-3,4-dihydro-2H-chromen-2-yl)benzamide;prop-1-en-2-amine

C23H30N2O3 — CID 142244963

IUPAC4-(4-butyl-6-hydroxy-3,4-dihydro-2H-chromen-2-yl)benzamide;prop-1-en-2-amine
SMILESC=C(C)N.CCCCC1CC(c2ccc(C(N)=O)cc2)Oc2ccc(O)cc21
InChIInChI=1S/C20H23NO3.C3H7N/c1-2-3-4-15-11-19(13-5-7-14(8-6-13)20(21)23)24-18-10-9-16(22)12-17(15)18;1-3(2)4/h5-10,12,15,19,22H,2-4,11H2,1H3,(H2,21,23);1,4H2,2H3
InChIKeyCMYGBROQQBYHFT-UHFFFAOYSA-N
MW382.50 g/mol
LogP4.77
Rot. Bonds5

About 4-(4-butyl-6-hydroxy-3,4-dihydro-2H-chromen-2-yl)benzamide;prop-1-en-2-amine

4-(4-butyl-6-hydroxy-3,4-dihydro-2H-chromen-2-yl)benzamide;prop-1-en-2-amine (PubChem CID 142244963) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 4-(4-butyl-6-hydroxy-3,4-dihydro-2H-chromen-2-yl)benzamide;prop-1-en-2-amine.

Molecular Properties

Compound Name4-(4-butyl-6-hydroxy-3,4-dihydro-2H-chromen-2-yl)benzamide;prop-1-en-2-amine
PubChem CID142244963
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name4-(4-butyl-6-hydroxy-3,4-dihydro-2H-chromen-2-yl)benzamide;prop-1-en-2-amine
SMILESC=C(C)N.CCCCC1CC(c2ccc(C(N)=O)cc2)Oc2ccc(O)cc21
InChIInChI=1S/C20H23NO3.C3H7N/c1-2-3-4-15-11-19(13-5-7-14(8-6-13)20(21)23)24-18-10-9-16(22)12-17(15)18;1-3(2)4/h5-10,12,15,19,22H,2-4,11H2,1H3,(H2,21,23);1,4H2,2H3
InChIKeyCMYGBROQQBYHFT-UHFFFAOYSA-N
XLogP4.77
TPSA98.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-(4-butyl-6-hydroxy-3,4-dihydro-2H-chromen-2-yl)benzamide;prop-1-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,4R)-2-(4-hydroxyphenyl)-4-(sulfanylmethyl)-3,4-dihydro-2H-chromen-6-ol
CID 147786035
2-ethyl-1,3-benzodioxole-5-carboxamide
CID 137423429
(2R,3R)-3-octyl-2,3-dihydro-1-benzofuran-2,5-diol
CID 154715612
6-hydroxy-2-phenyl-3,4-dihydro-2H-chromene-4-carbaldehyde
CID 174481286
2-(4-hydroxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 114715244
ethane;(2R)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-ol;2-methylpropane
CID 142956929
4-tributylstannylbenzamide
CID 11004124
4-N-cyclopropyl-4-N-ethylbenzene-1,4-dicarboxamide
CID 47155368
2-butyl-2H-chromene-6-carboxylic acid
CID 174747813
5-(4-butoxyphenyl)-3-pentyloxolan-2-one
CID 19786112
(4S)-6-bromo-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104951295
(3R,5S)-5-butyl-3-(4-hydroxyphenyl)oxolan-2-one
CID 139603112

Frequently Asked Questions

What is the IUPAC name of 4-(4-butyl-6-hydroxy-3,4-dihydro-2H-chromen-2-yl)benzamide;prop-1-en-2-amine?
The IUPAC name of 4-(4-butyl-6-hydroxy-3,4-dihydro-2H-chromen-2-yl)benzamide;prop-1-en-2-amine (CID 142244963) is 4-(4-butyl-6-hydroxy-3,4-dihydro-2H-chromen-2-yl)benzamide;prop-1-en-2-amine.
What is the SMILES notation for 4-(4-butyl-6-hydroxy-3,4-dihydro-2H-chromen-2-yl)benzamide;prop-1-en-2-amine?
The canonical SMILES for 4-(4-butyl-6-hydroxy-3,4-dihydro-2H-chromen-2-yl)benzamide;prop-1-en-2-amine is C=C(C)N.CCCCC1CC(c2ccc(C(N)=O)cc2)Oc2ccc(O)cc21.
What is the InChIKey of 4-(4-butyl-6-hydroxy-3,4-dihydro-2H-chromen-2-yl)benzamide;prop-1-en-2-amine?
The InChIKey is CMYGBROQQBYHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3.C3H7N/c1-2-3-4-15-11-19(13-5-7-14(8-6-13)20(21)23)24-18-10-9-16(22)12-17(15)18;1-3(2)4/h5-10,12,15,19,22H,2-4,11H2,1H3,(H2,21,23);1,4H2,2H3.
What are the key properties of 4-(4-butyl-6-hydroxy-3,4-dihydro-2H-chromen-2-yl)benzamide;prop-1-en-2-amine?
4-(4-butyl-6-hydroxy-3,4-dihydro-2H-chromen-2-yl)benzamide;prop-1-en-2-amine has a molecular weight of 382.50 g/mol, XLogP of 4.77, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butyl-6-hydroxy-3,4-dihydro-2H-chromen-2-yl)benzamide;prop-1-en-2-amine is sourced from PubChem (CID 142244963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).