N-[(4-phenyloxan-4-yl)methyl]-3-(4-propan-2-ylphenyl)prop-2-enamide

C24H29NO2 — CID 1308572

IUPACN-[(4-phenyloxan-4-yl)methyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCC(C)c1ccc(C=CC(=O)NCC2(c3ccccc3)CCOCC2)cc1
InChIInChI=1S/C24H29NO2/c1-19(2)21-11-8-20(9-12-21)10-13-23(26)25-18-24(14-16-27-17-15-24)22-6-4-3-5-7-22/h3-13,19H,14-18H2,1-2H3,(H,25,26)
InChIKeyCAVJQELPLQDJRK-UHFFFAOYSA-N
MW363.50 g/mol
LogP4.69
Rot. Bonds6

About N-[(4-phenyloxan-4-yl)methyl]-3-(4-propan-2-ylphenyl)prop-2-enamide

N-[(4-phenyloxan-4-yl)methyl]-3-(4-propan-2-ylphenyl)prop-2-enamide (PubChem CID 1308572) has the molecular formula C24H29NO2 and a molecular weight of 363.50 g/mol. Its IUPAC name is N-[(4-phenyloxan-4-yl)methyl]-3-(4-propan-2-ylphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-[(4-phenyloxan-4-yl)methyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
PubChem CID1308572
Molecular FormulaC24H29NO2
Molecular Weight363.50 g/mol
Exact Mass363.22
IUPAC NameN-[(4-phenyloxan-4-yl)methyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCC(C)c1ccc(C=CC(=O)NCC2(c3ccccc3)CCOCC2)cc1
InChIInChI=1S/C24H29NO2/c1-19(2)21-11-8-20(9-12-21)10-13-23(26)25-18-24(14-16-27-17-15-24)22-6-4-3-5-7-22/h3-13,19H,14-18H2,1-2H3,(H,25,26)
InChIKeyCAVJQELPLQDJRK-UHFFFAOYSA-N
XLogP4.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-3-phenylprop-2-enamide
CID 60576380
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-3-(4-propan-2-yloxyphenyl)prop-2-enamide
CID 71964859
(E)-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-3-(4-ethoxyphenyl)prop-2-enamide
CID 98935516
(E)-3-(4-methoxyphenyl)-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide
CID 5399176
(E)-3-(4-ethoxyphenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]prop-2-enamide
CID 94650415
(E)-3-[4-(methylsulfamoyl)phenyl]-N-[(1-phenylcyclopropyl)methyl]prop-2-enamide
CID 30308521
(E)-3-(5-bromo-2-methoxyphenyl)-N-[(4-phenyloxan-4-yl)methyl]prop-2-enamide
CID 1095830
3-amino-N-[(4-phenyloxan-4-yl)methyl]butanamide
CID 119731118
N-[(4-phenyloxan-4-yl)methyl]-2-phenylsulfanylpropanamide
CID 133210947
2-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]acetic acid
CID 43239068
(E)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 98932984
4-amino-N-[(4-phenyloxan-4-yl)methyl]pentanamide
CID 120560576

Frequently Asked Questions

What is the IUPAC name of N-[(4-phenyloxan-4-yl)methyl]-3-(4-propan-2-ylphenyl)prop-2-enamide?
The IUPAC name of N-[(4-phenyloxan-4-yl)methyl]-3-(4-propan-2-ylphenyl)prop-2-enamide (CID 1308572) is N-[(4-phenyloxan-4-yl)methyl]-3-(4-propan-2-ylphenyl)prop-2-enamide.
What is the SMILES notation for N-[(4-phenyloxan-4-yl)methyl]-3-(4-propan-2-ylphenyl)prop-2-enamide?
The canonical SMILES for N-[(4-phenyloxan-4-yl)methyl]-3-(4-propan-2-ylphenyl)prop-2-enamide is CC(C)c1ccc(C=CC(=O)NCC2(c3ccccc3)CCOCC2)cc1.
What is the InChIKey of N-[(4-phenyloxan-4-yl)methyl]-3-(4-propan-2-ylphenyl)prop-2-enamide?
The InChIKey is CAVJQELPLQDJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO2/c1-19(2)21-11-8-20(9-12-21)10-13-23(26)25-18-24(14-16-27-17-15-24)22-6-4-3-5-7-22/h3-13,19H,14-18H2,1-2H3,(H,25,26).
What are the key properties of N-[(4-phenyloxan-4-yl)methyl]-3-(4-propan-2-ylphenyl)prop-2-enamide?
N-[(4-phenyloxan-4-yl)methyl]-3-(4-propan-2-ylphenyl)prop-2-enamide has a molecular weight of 363.50 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenyloxan-4-yl)methyl]-3-(4-propan-2-ylphenyl)prop-2-enamide is sourced from PubChem (CID 1308572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).