2-(4-methoxyanilino)-N-(3-phenylpropylideneamino)acetamide

C18H21N3O2 — CID 4922169

IUPAC2-(4-methoxyanilino)-N-(3-phenylpropylideneamino)acetamide
SMILESCOc1ccc(NCC(=O)NN=CCCc2ccccc2)cc1
InChIInChI=1S/C18H21N3O2/c1-23-17-11-9-16(10-12-17)19-14-18(22)21-20-13-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-13,19H,5,8,14H2,1H3,(H,21,22)
InChIKeyUPXCDBGDEJFEQL-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.84
Rot. Bonds8

About 2-(4-methoxyanilino)-N-(3-phenylpropylideneamino)acetamide

2-(4-methoxyanilino)-N-(3-phenylpropylideneamino)acetamide (PubChem CID 4922169) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-N-(3-phenylpropylideneamino)acetamide.

Molecular Properties

Compound Name2-(4-methoxyanilino)-N-(3-phenylpropylideneamino)acetamide
PubChem CID4922169
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name2-(4-methoxyanilino)-N-(3-phenylpropylideneamino)acetamide
SMILESCOc1ccc(NCC(=O)NN=CCCc2ccccc2)cc1
InChIInChI=1S/C18H21N3O2/c1-23-17-11-9-16(10-12-17)19-14-18(22)21-20-13-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-13,19H,5,8,14H2,1H3,(H,21,22)
InChIKeyUPXCDBGDEJFEQL-UHFFFAOYSA-N
XLogP2.84
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyanilino)-N-phenylacetamide
CID 7636829
2-(4-methoxyanilino)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4005340
1-[[2-(4-methoxyanilino)acetyl]amino]-3-(2-phenylethyl)thiourea
CID 8617393
N-(fluoren-9-ylideneamino)-2-(4-methoxyanilino)acetamide
CID 7933106
N-[(E)-3-phenylpropylideneamino]-2-(4-propan-2-ylphenoxy)acetamide
CID 6231205
2-anilino-N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
CID 136662896
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)acetamide
CID 136899311
2-anilino-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 7784236
2-[4-[(Z)-[[2-(4-methoxyanilino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 7933088
2-(4-methoxyanilino)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 5427947
2-(4-methoxyanilino)-N-[(4-methoxynaphthalen-1-yl)methylideneamino]acetamide
CID 4628921
N-(4-methoxyphenyl)-2-[4-(2-phenoxyethoxy)anilino]acetamide
CID 54823074

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-N-(3-phenylpropylideneamino)acetamide?
The IUPAC name of 2-(4-methoxyanilino)-N-(3-phenylpropylideneamino)acetamide (CID 4922169) is 2-(4-methoxyanilino)-N-(3-phenylpropylideneamino)acetamide.
What is the SMILES notation for 2-(4-methoxyanilino)-N-(3-phenylpropylideneamino)acetamide?
The canonical SMILES for 2-(4-methoxyanilino)-N-(3-phenylpropylideneamino)acetamide is COc1ccc(NCC(=O)NN=CCCc2ccccc2)cc1.
What is the InChIKey of 2-(4-methoxyanilino)-N-(3-phenylpropylideneamino)acetamide?
The InChIKey is UPXCDBGDEJFEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-23-17-11-9-16(10-12-17)19-14-18(22)21-20-13-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-13,19H,5,8,14H2,1H3,(H,21,22).
What are the key properties of 2-(4-methoxyanilino)-N-(3-phenylpropylideneamino)acetamide?
2-(4-methoxyanilino)-N-(3-phenylpropylideneamino)acetamide has a molecular weight of 311.39 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)-N-(3-phenylpropylideneamino)acetamide is sourced from PubChem (CID 4922169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).