2-(4-cyanoanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C19H19N3O — CID 25467388

IUPAC2-(4-cyanoanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESN#Cc1ccc(NCC(=O)N[C@H]2CCCc3ccccc32)cc1
InChIInChI=1S/C19H19N3O/c20-12-14-8-10-16(11-9-14)21-13-19(23)22-18-7-3-5-15-4-1-2-6-17(15)18/h1-2,4,6,8-11,18,21H,3,5,7,13H2,(H,22,23)/t18-/m0/s1
InChIKeyGEDVPVWCDQZNCA-SFHVURJKSA-N
MW305.38 g/mol
LogP3.16
Rot. Bonds4

About 2-(4-cyanoanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2-(4-cyanoanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 25467388) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-(4-cyanoanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-(4-cyanoanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID25467388
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name2-(4-cyanoanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESN#Cc1ccc(NCC(=O)N[C@H]2CCCc3ccccc32)cc1
InChIInChI=1S/C19H19N3O/c20-12-14-8-10-16(11-9-14)21-13-19(23)22-18-7-3-5-15-4-1-2-6-17(15)18/h1-2,4,6,8-11,18,21H,3,5,7,13H2,(H,22,23)/t18-/m0/s1
InChIKeyGEDVPVWCDQZNCA-SFHVURJKSA-N
XLogP3.16
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 4-cyanobenzoate
CID 2592300
2-(4-cyanoanilino)-N-[2-[[2-(4-cyanoanilino)acetyl]amino]cyclopentyl]acetamide
CID 166192867
2-(3-cyanophenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4819137
4-cyano-N-(2,3-dihydro-1H-inden-1-yl)benzamide
CID 47126975
2-(2-cyanophenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4235995
3-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 69220088
2-phenylsulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2707705
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopropanecarboxamide
CID 7688429
2-[[(4-cyanoanilino)-(2,3-dihydro-1H-inden-1-ylamino)methylidene]amino]acetic acid
CID 14230964
2-[2-(methylsulfonylmethyl)anilino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 52537482
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl fluoride
CID 90147743
1-cyano-N-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclobutane-1-carboxamide
CID 78994938

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanoanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2-(4-cyanoanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 25467388) is 2-(4-cyanoanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2-(4-cyanoanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2-(4-cyanoanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is N#Cc1ccc(NCC(=O)N[C@H]2CCCc3ccccc32)cc1.
What is the InChIKey of 2-(4-cyanoanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is GEDVPVWCDQZNCA-SFHVURJKSA-N. The full InChI is InChI=1S/C19H19N3O/c20-12-14-8-10-16(11-9-14)21-13-19(23)22-18-7-3-5-15-4-1-2-6-17(15)18/h1-2,4,6,8-11,18,21H,3,5,7,13H2,(H,22,23)/t18-/m0/s1.
What are the key properties of 2-(4-cyanoanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
2-(4-cyanoanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 305.38 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanoanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 25467388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).