1-[4-[3-(4-methoxy-3,5-dimethylphenyl)prop-2-enoyl]phenyl]-3-propylurea

C22H26N2O3 — CID 175151212

IUPAC1-[4-[3-(4-methoxy-3,5-dimethylphenyl)prop-2-enoyl]phenyl]-3-propylurea
SMILESCCCNC(=O)Nc1ccc(C(=O)C=Cc2cc(C)c(OC)c(C)c2)cc1
InChIInChI=1S/C22H26N2O3/c1-5-12-23-22(26)24-19-9-7-18(8-10-19)20(25)11-6-17-13-15(2)21(27-4)16(3)14-17/h6-11,13-14H,5,12H2,1-4H3,(H2,23,24,26)
InChIKeyYXDKOMLVUSTTHB-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.74
Rot. Bonds7

About 1-[4-[3-(4-methoxy-3,5-dimethylphenyl)prop-2-enoyl]phenyl]-3-propylurea

1-[4-[3-(4-methoxy-3,5-dimethylphenyl)prop-2-enoyl]phenyl]-3-propylurea (PubChem CID 175151212) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-[4-[3-(4-methoxy-3,5-dimethylphenyl)prop-2-enoyl]phenyl]-3-propylurea.

Molecular Properties

Compound Name1-[4-[3-(4-methoxy-3,5-dimethylphenyl)prop-2-enoyl]phenyl]-3-propylurea
PubChem CID175151212
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name1-[4-[3-(4-methoxy-3,5-dimethylphenyl)prop-2-enoyl]phenyl]-3-propylurea
SMILESCCCNC(=O)Nc1ccc(C(=O)C=Cc2cc(C)c(OC)c(C)c2)cc1
InChIInChI=1S/C22H26N2O3/c1-5-12-23-22(26)24-19-9-7-18(8-10-19)20(25)11-6-17-13-15(2)21(27-4)16(3)14-17/h6-11,13-14H,5,12H2,1-4H3,(H2,23,24,26)
InChIKeyYXDKOMLVUSTTHB-UHFFFAOYSA-N
XLogP4.74
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[4-[(E)-3-(4-ethoxyphenyl)-3-oxoprop-1-enyl]-2,6-dimethylphenoxy]acetate
CID 60603886
3-(3,4,5-trimethoxyphenyl)-1-[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one
CID 71835462
(E)-3-[3-methyl-5-(propylcarbamoylamino)phenyl]prop-2-enoic acid
CID 107580334
1-(2-chloroethyl)-3-[4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]urea
CID 122181272
N-prop-2-enyl-4-(propylcarbamoylamino)benzamide
CID 47265151
(E)-1-(4-methoxy-3-methylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 10712323
2-[[4-[(E)-3-(4-hydroxy-3,5-dimethylphenyl)prop-2-enoyl]benzoyl]amino]acetic acid
CID 170554760
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-1-(3,4-dimethylphenyl)prop-2-en-1-one
CID 6218970
4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-N-propylbenzamide
CID 17218767
(E)-3-(4-methoxy-3-methylphenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 24582564
methyl 2-[4-[3-(3-methoxyphenyl)-3-oxoprop-1-enyl]-2,6-dimethylphenoxy]acetate
CID 76878265
3-[4-[(3-methoxy-3-oxopropyl)carbamoylamino]phenyl]prop-2-enoic acid
CID 61299940

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(4-methoxy-3,5-dimethylphenyl)prop-2-enoyl]phenyl]-3-propylurea?
The IUPAC name of 1-[4-[3-(4-methoxy-3,5-dimethylphenyl)prop-2-enoyl]phenyl]-3-propylurea (CID 175151212) is 1-[4-[3-(4-methoxy-3,5-dimethylphenyl)prop-2-enoyl]phenyl]-3-propylurea.
What is the SMILES notation for 1-[4-[3-(4-methoxy-3,5-dimethylphenyl)prop-2-enoyl]phenyl]-3-propylurea?
The canonical SMILES for 1-[4-[3-(4-methoxy-3,5-dimethylphenyl)prop-2-enoyl]phenyl]-3-propylurea is CCCNC(=O)Nc1ccc(C(=O)C=Cc2cc(C)c(OC)c(C)c2)cc1.
What is the InChIKey of 1-[4-[3-(4-methoxy-3,5-dimethylphenyl)prop-2-enoyl]phenyl]-3-propylurea?
The InChIKey is YXDKOMLVUSTTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-5-12-23-22(26)24-19-9-7-18(8-10-19)20(25)11-6-17-13-15(2)21(27-4)16(3)14-17/h6-11,13-14H,5,12H2,1-4H3,(H2,23,24,26).
What are the key properties of 1-[4-[3-(4-methoxy-3,5-dimethylphenyl)prop-2-enoyl]phenyl]-3-propylurea?
1-[4-[3-(4-methoxy-3,5-dimethylphenyl)prop-2-enoyl]phenyl]-3-propylurea has a molecular weight of 366.46 g/mol, XLogP of 4.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(4-methoxy-3,5-dimethylphenyl)prop-2-enoyl]phenyl]-3-propylurea is sourced from PubChem (CID 175151212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).