N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-[4-(prop-2-enoylamino)phenyl]propanamide

C24H28N2O2 — CID 166421893

IUPACN-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-[4-(prop-2-enoylamino)phenyl]propanamide
SMILESC=CC(=O)Nc1ccc(CCC(=O)N(Cc2ccc(CC)cc2)C2CC2)cc1
InChIInChI=1S/C24H28N2O2/c1-3-18-5-7-20(8-6-18)17-26(22-14-15-22)24(28)16-11-19-9-12-21(13-10-19)25-23(27)4-2/h4-10,12-13,22H,2-3,11,14-17H2,1H3,(H,25,27)
InChIKeyHLDNLCQSPQBJPB-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.50
Rot. Bonds9

About N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-[4-(prop-2-enoylamino)phenyl]propanamide

N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-[4-(prop-2-enoylamino)phenyl]propanamide (PubChem CID 166421893) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-[4-(prop-2-enoylamino)phenyl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-[4-(prop-2-enoylamino)phenyl]propanamide
PubChem CID166421893
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC NameN-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-[4-(prop-2-enoylamino)phenyl]propanamide
SMILESC=CC(=O)Nc1ccc(CCC(=O)N(Cc2ccc(CC)cc2)C2CC2)cc1
InChIInChI=1S/C24H28N2O2/c1-3-18-5-7-20(8-6-18)17-26(22-14-15-22)24(28)16-11-19-9-12-21(13-10-19)25-23(27)4-2/h4-10,12-13,22H,2-3,11,14-17H2,1H3,(H,25,27)
InChIKeyHLDNLCQSPQBJPB-UHFFFAOYSA-N
XLogP4.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.50
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

N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 87024531
4-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]butanamide
CID 54870516
3-(2-aminophenyl)-N-cyclopropyl-N-[(4-ethylphenyl)methyl]propanamide
CID 120608816
N-[(1-ethylpyrrol-2-yl)methyl]-N-methyl-3-[4-(prop-2-enoylamino)phenyl]propanamide
CID 166422107
N-[3-[2-[(4-cyanophenyl)methyl-cyclopropylamino]-2-oxoethyl]phenyl]prop-2-enamide
CID 166421754
N-[4-[[acetyl(cyclopropyl)amino]methyl]phenyl]-2-(4-ethylphenyl)-2-methylpropanamide
CID 91644095
N-methyl-3-[4-(prop-2-enoylamino)phenyl]-N-(2-pyrazol-1-ylethyl)propanamide
CID 166421983
N-cyclopentyl-N-ethyl-2-hydroxy-5-(prop-2-enoylamino)benzamide
CID 167861171
N-[1-(1-hydroxycyclobutyl)ethyl]-3-[4-(prop-2-enoylamino)phenyl]propanamide
CID 166420370
N-[(4-aminophenyl)methyl]-N-cyclopropyloctanamide
CID 43460515
[3-[3-[4-(prop-2-enoylamino)phenyl]propanoylamino]phenyl]carbamic acid
CID 138682756
N-[4-(aminomethyl)phenyl]prop-2-enamide
CID 82503451

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-[4-(prop-2-enoylamino)phenyl]propanamide?
The IUPAC name of N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-[4-(prop-2-enoylamino)phenyl]propanamide (CID 166421893) is N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-[4-(prop-2-enoylamino)phenyl]propanamide.
What is the SMILES notation for N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-[4-(prop-2-enoylamino)phenyl]propanamide?
The canonical SMILES for N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-[4-(prop-2-enoylamino)phenyl]propanamide is C=CC(=O)Nc1ccc(CCC(=O)N(Cc2ccc(CC)cc2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-[4-(prop-2-enoylamino)phenyl]propanamide?
The InChIKey is HLDNLCQSPQBJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-3-18-5-7-20(8-6-18)17-26(22-14-15-22)24(28)16-11-19-9-12-21(13-10-19)25-23(27)4-2/h4-10,12-13,22H,2-3,11,14-17H2,1H3,(H,25,27).
What are the key properties of N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-[4-(prop-2-enoylamino)phenyl]propanamide?
N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-[4-(prop-2-enoylamino)phenyl]propanamide has a molecular weight of 376.50 g/mol, XLogP of 4.50, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-[4-(prop-2-enoylamino)phenyl]propanamide is sourced from PubChem (CID 166421893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).