N-[3-(1-cyanopropan-2-ylamino)phenyl]acetamide

C12H15N3O — CID 60914306

IUPACN-[3-(1-cyanopropan-2-ylamino)phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC(C)CC#N)c1
InChIInChI=1S/C12H15N3O/c1-9(6-7-13)14-11-4-3-5-12(8-11)15-10(2)16/h3-5,8-9,14H,6H2,1-2H3,(H,15,16)
InChIKeyJTIOHOCINKJJRY-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.36
Rot. Bonds4

About N-[3-(1-cyanopropan-2-ylamino)phenyl]acetamide

N-[3-(1-cyanopropan-2-ylamino)phenyl]acetamide (PubChem CID 60914306) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is N-[3-(1-cyanopropan-2-ylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(1-cyanopropan-2-ylamino)phenyl]acetamide
PubChem CID60914306
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC NameN-[3-(1-cyanopropan-2-ylamino)phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC(C)CC#N)c1
InChIInChI=1S/C12H15N3O/c1-9(6-7-13)14-11-4-3-5-12(8-11)15-10(2)16/h3-5,8-9,14H,6H2,1-2H3,(H,15,16)
InChIKeyJTIOHOCINKJJRY-UHFFFAOYSA-N
XLogP2.36
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[3-(3-methylpentan-2-ylamino)phenyl]acetamide
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CID 70638220
N-(4-acetamidophenyl)-3-cyano-2-methylpropanamide
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N-(3-acetamidophenyl)-4-(butan-2-ylamino)pyridine-2-carboxamide
CID 109203563
N-[3-(cyanomethoxy)phenyl]acetamide
CID 43093084
N-[3-[(3-methyl-1-phenylbutyl)amino]phenyl]acetamide
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N-(3-acetamidophenyl)-2-aminopropanamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-cyanopropan-2-ylamino)phenyl]acetamide?
The IUPAC name of N-[3-(1-cyanopropan-2-ylamino)phenyl]acetamide (CID 60914306) is N-[3-(1-cyanopropan-2-ylamino)phenyl]acetamide.
What is the SMILES notation for N-[3-(1-cyanopropan-2-ylamino)phenyl]acetamide?
The canonical SMILES for N-[3-(1-cyanopropan-2-ylamino)phenyl]acetamide is CC(=O)Nc1cccc(NC(C)CC#N)c1.
What is the InChIKey of N-[3-(1-cyanopropan-2-ylamino)phenyl]acetamide?
The InChIKey is JTIOHOCINKJJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9(6-7-13)14-11-4-3-5-12(8-11)15-10(2)16/h3-5,8-9,14H,6H2,1-2H3,(H,15,16).
What are the key properties of N-[3-(1-cyanopropan-2-ylamino)phenyl]acetamide?
N-[3-(1-cyanopropan-2-ylamino)phenyl]acetamide has a molecular weight of 217.27 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-cyanopropan-2-ylamino)phenyl]acetamide is sourced from PubChem (CID 60914306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).