N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]-2-(naphthalen-2-ylamino)acetamide

C25H27N3O — CID 4545872

IUPACN-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]-2-(naphthalen-2-ylamino)acetamide
SMILESCC(C=NNC(=O)CNc1ccc2ccccc2c1)=Cc1ccc(C(C)C)cc1
InChIInChI=1S/C25H27N3O/c1-18(2)21-10-8-20(9-11-21)14-19(3)16-27-28-25(29)17-26-24-13-12-22-6-4-5-7-23(22)15-24/h4-16,18,26H,17H2,1-3H3,(H,28,29)
InChIKeyBJIJTYIMSWIZNC-UHFFFAOYSA-N
MW385.51 g/mol
LogP5.58
Rot. Bonds7

About N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]-2-(naphthalen-2-ylamino)acetamide

N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]-2-(naphthalen-2-ylamino)acetamide (PubChem CID 4545872) has the molecular formula C25H27N3O and a molecular weight of 385.51 g/mol. Its IUPAC name is N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]-2-(naphthalen-2-ylamino)acetamide.

Molecular Properties

Compound NameN-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]-2-(naphthalen-2-ylamino)acetamide
PubChem CID4545872
Molecular FormulaC25H27N3O
Molecular Weight385.51 g/mol
Exact Mass385.22
IUPAC NameN-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]-2-(naphthalen-2-ylamino)acetamide
SMILESCC(C=NNC(=O)CNc1ccc2ccccc2c1)=Cc1ccc(C(C)C)cc1
InChIInChI=1S/C25H27N3O/c1-18(2)21-10-8-20(9-11-21)14-19(3)16-27-28-25(29)17-26-24-13-12-22-6-4-5-7-23(22)15-24/h4-16,18,26H,17H2,1-3H3,(H,28,29)
InChIKeyBJIJTYIMSWIZNC-UHFFFAOYSA-N
XLogP5.58
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-anilino-N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide
CID 4521750
2-(3-methylanilino)-N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide
CID 3473753
2-(4-iodo-3-methylanilino)-N-[(Z)-[(Z)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide
CID 25286171
2-anilino-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 129431732
N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]-2-(2,4,6-tribromoanilino)acetamide
CID 4588805
2-(2,6-dibromo-4-methylanilino)-N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide
CID 4028495
2-anilino-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]acetamide
CID 7784431
N-(4-methylphenyl)-N'-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]butanediamide
CID 3254703
2-(naphthalen-2-ylamino)-N-propan-2-ylacetamide
CID 43398270
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 135473296
N-[(3,4-dihydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 687876
2-(3,4-dichloroanilino)-N-[(4-propan-2-ylphenyl)methylideneamino]acetamide
CID 5016763

Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]-2-(naphthalen-2-ylamino)acetamide?
The IUPAC name of N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]-2-(naphthalen-2-ylamino)acetamide (CID 4545872) is N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]-2-(naphthalen-2-ylamino)acetamide.
What is the SMILES notation for N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]-2-(naphthalen-2-ylamino)acetamide?
The canonical SMILES for N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]-2-(naphthalen-2-ylamino)acetamide is CC(C=NNC(=O)CNc1ccc2ccccc2c1)=Cc1ccc(C(C)C)cc1.
What is the InChIKey of N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]-2-(naphthalen-2-ylamino)acetamide?
The InChIKey is BJIJTYIMSWIZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O/c1-18(2)21-10-8-20(9-11-21)14-19(3)16-27-28-25(29)17-26-24-13-12-22-6-4-5-7-23(22)15-24/h4-16,18,26H,17H2,1-3H3,(H,28,29).
What are the key properties of N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]-2-(naphthalen-2-ylamino)acetamide?
N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]-2-(naphthalen-2-ylamino)acetamide has a molecular weight of 385.51 g/mol, XLogP of 5.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]-2-(naphthalen-2-ylamino)acetamide is sourced from PubChem (CID 4545872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).