N-[4-(1-aminobutylideneamino)phenyl]acetamide

C12H17N3O — CID 63174235

IUPACN-[4-(1-aminobutylideneamino)phenyl]acetamide
SMILESCCC/C(N)=N\c1ccc(NC(C)=O)cc1
InChIInChI=1S/C12H17N3O/c1-3-4-12(13)15-11-7-5-10(6-8-11)14-9(2)16/h5-8H,3-4H2,1-2H3,(H2,13,15)(H,14,16)
InChIKeyKTVAHTGFIDLTDP-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.43
Rot. Bonds4

About N-[4-(1-aminobutylideneamino)phenyl]acetamide

N-[4-(1-aminobutylideneamino)phenyl]acetamide (PubChem CID 63174235) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-[4-(1-aminobutylideneamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(1-aminobutylideneamino)phenyl]acetamide
PubChem CID63174235
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-[4-(1-aminobutylideneamino)phenyl]acetamide
SMILESCCC/C(N)=N\c1ccc(NC(C)=O)cc1
InChIInChI=1S/C12H17N3O/c1-3-4-12(13)15-11-7-5-10(6-8-11)14-9(2)16/h5-8H,3-4H2,1-2H3,(H2,13,15)(H,14,16)
InChIKeyKTVAHTGFIDLTDP-UHFFFAOYSA-N
XLogP2.43
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-acetamidobenzoic acid;butanoic acid
CID 159836092
N-[4-[[N'-[N'-(4-chlorophenyl)carbamimidoyl]carbamimidoyl]amino]phenyl]acetamide
CID 54149924
N-(4-acetamidophenyl)hexanamide
CID 4953736
N-[6-(4-acetamidoanilino)pyridazin-3-yl]butanamide
CID 113049268
N-[4-[[2-(4-acetamidoanilino)acetyl]amino]phenyl]butanamide
CID 54809172
N-[4-(butanoylamino)phenyl]butanamide;ethane
CID 166169399
N-(4-acetamidophenyl)-3-aminopropanamide
CID 22692055
N-[4-(2-oxopentoxy)phenyl]acetamide
CID 62041871
N-(4-acetamidophenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76926369
N'-(2,3-dihydro-1H-inden-5-yl)butanimidamide
CID 63179071
N-(4-azidophenyl)acetamide
CID 4315161
(2R)-N-(4-acetamidophenyl)-2-aminopentanamide
CID 113263757

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-aminobutylideneamino)phenyl]acetamide?
The IUPAC name of N-[4-(1-aminobutylideneamino)phenyl]acetamide (CID 63174235) is N-[4-(1-aminobutylideneamino)phenyl]acetamide.
What is the SMILES notation for N-[4-(1-aminobutylideneamino)phenyl]acetamide?
The canonical SMILES for N-[4-(1-aminobutylideneamino)phenyl]acetamide is CCC/C(N)=N\c1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-(1-aminobutylideneamino)phenyl]acetamide?
The InChIKey is KTVAHTGFIDLTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-3-4-12(13)15-11-7-5-10(6-8-11)14-9(2)16/h5-8H,3-4H2,1-2H3,(H2,13,15)(H,14,16).
What are the key properties of N-[4-(1-aminobutylideneamino)phenyl]acetamide?
N-[4-(1-aminobutylideneamino)phenyl]acetamide has a molecular weight of 219.29 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-aminobutylideneamino)phenyl]acetamide is sourced from PubChem (CID 63174235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).