N-(3-aminophenyl)-2-[butyl(methyl)amino]butanamide

C15H25N3O — CID 82224695

IUPACN-(3-aminophenyl)-2-[butyl(methyl)amino]butanamide
SMILESCCCCN(C)C(CC)C(=O)Nc1cccc(N)c1
InChIInChI=1S/C15H25N3O/c1-4-6-10-18(3)14(5-2)15(19)17-13-9-7-8-12(16)11-13/h7-9,11,14H,4-6,10,16H2,1-3H3,(H,17,19)
InChIKeyKUYPPOPRARHOPR-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.72
Rot. Bonds7

About N-(3-aminophenyl)-2-[butyl(methyl)amino]butanamide

N-(3-aminophenyl)-2-[butyl(methyl)amino]butanamide (PubChem CID 82224695) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-[butyl(methyl)amino]butanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-[butyl(methyl)amino]butanamide
PubChem CID82224695
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-(3-aminophenyl)-2-[butyl(methyl)amino]butanamide
SMILESCCCCN(C)C(CC)C(=O)Nc1cccc(N)c1
InChIInChI=1S/C15H25N3O/c1-4-6-10-18(3)14(5-2)15(19)17-13-9-7-8-12(16)11-13/h7-9,11,14H,4-6,10,16H2,1-3H3,(H,17,19)
InChIKeyKUYPPOPRARHOPR-UHFFFAOYSA-N
XLogP2.72
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-methoxyphenyl)-2-[butyl(methyl)amino]butanamide
CID 82224746
N-(3-aminophenyl)-2-[butyl(ethyl)amino]-3-methylbutanamide
CID 82224645
(2S)-N-(3-aminophenyl)-2-methylbutanamide
CID 40788840
N-(3-aminophenyl)-2-(dibutylamino)acetamide
CID 28982406
N-(3-aminophenyl)-2-(dipropylamino)propanamide
CID 16778715
3-[[1-(3-aminoanilino)-1-oxopropan-2-yl]-methylamino]propanoic acid
CID 82224712
(2R)-N-(3-aminophenyl)-2-methylpentanamide
CID 40788841
(2S)-N-(3-aminophenyl)-2-methylpentanamide
CID 40788842
N-(3-aminophenyl)-2-butylsulfonylpropanamide
CID 43615888
N-(3-aminophenyl)-2-[2-methoxyethyl(methyl)amino]propanamide
CID 61429180
N-(3-aminophenyl)-2-[3-(dimethylamino)propyl-ethylamino]propanamide
CID 102991480
N-(3-aminophenyl)-2-ethoxypropanamide
CID 16782214

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-[butyl(methyl)amino]butanamide?
The IUPAC name of N-(3-aminophenyl)-2-[butyl(methyl)amino]butanamide (CID 82224695) is N-(3-aminophenyl)-2-[butyl(methyl)amino]butanamide.
What is the SMILES notation for N-(3-aminophenyl)-2-[butyl(methyl)amino]butanamide?
The canonical SMILES for N-(3-aminophenyl)-2-[butyl(methyl)amino]butanamide is CCCCN(C)C(CC)C(=O)Nc1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-2-[butyl(methyl)amino]butanamide?
The InChIKey is KUYPPOPRARHOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-6-10-18(3)14(5-2)15(19)17-13-9-7-8-12(16)11-13/h7-9,11,14H,4-6,10,16H2,1-3H3,(H,17,19).
What are the key properties of N-(3-aminophenyl)-2-[butyl(methyl)amino]butanamide?
N-(3-aminophenyl)-2-[butyl(methyl)amino]butanamide has a molecular weight of 263.38 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-2-[butyl(methyl)amino]butanamide is sourced from PubChem (CID 82224695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).