N-(2-aminophenyl)-3-[butyl(cyclopropyl)amino]propanamide

C16H25N3O — CID 61440644

IUPACN-(2-aminophenyl)-3-[butyl(cyclopropyl)amino]propanamide
SMILESCCCCN(CCC(=O)Nc1ccccc1N)C1CC1
InChIInChI=1S/C16H25N3O/c1-2-3-11-19(13-8-9-13)12-10-16(20)18-15-7-5-4-6-14(15)17/h4-7,13H,2-3,8-12,17H2,1H3,(H,18,20)
InChIKeyKJNKIVKYNQYTQP-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.86
Rot. Bonds8

About N-(2-aminophenyl)-3-[butyl(cyclopropyl)amino]propanamide

N-(2-aminophenyl)-3-[butyl(cyclopropyl)amino]propanamide (PubChem CID 61440644) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-[butyl(cyclopropyl)amino]propanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-[butyl(cyclopropyl)amino]propanamide
PubChem CID61440644
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-(2-aminophenyl)-3-[butyl(cyclopropyl)amino]propanamide
SMILESCCCCN(CCC(=O)Nc1ccccc1N)C1CC1
InChIInChI=1S/C16H25N3O/c1-2-3-11-19(13-8-9-13)12-10-16(20)18-15-7-5-4-6-14(15)17/h4-7,13H,2-3,8-12,17H2,1H3,(H,18,20)
InChIKeyKJNKIVKYNQYTQP-UHFFFAOYSA-N
XLogP2.86
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.86
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-(3-amino-2-methylphenyl)-3-[cyclopropyl(ethyl)amino]propanamide
CID 43263763
N-(2-carbamothioylphenyl)-3-[cyclopropyl(propyl)amino]propanamide
CID 43270414
N-(2-aminophenyl)octadecanamide
CID 68839220
3-[cyclopropyl-[3-(2-fluoroanilino)-3-oxopropyl]amino]propanoic acid
CID 60840730
N-(2-aminophenyl)-4-[cyclohexyl(methyl)amino]butanamide
CID 16794531
N-(3-amino-2-methylphenyl)-3-[cyclopentyl(ethyl)amino]propanamide
CID 43540741
2-[butyl(cyclopropyl)amino]-N-(2-carbamothioylphenyl)acetamide
CID 61441785
N-(2-amino-4-fluorophenyl)-3-[cyclopropyl(ethyl)amino]propanamide
CID 43263780
N-(2-aminophenyl)-4-[ethyl(propyl)amino]butanamide
CID 43268382
N-(2-aminophenyl)-N',N'-dipropylbutanediamide
CID 119421937
N-(2-aminophenyl)-3-[methoxy(methyl)amino]propanamide
CID 43627652
N-(2-cyanophenyl)-3-[cyclopropyl(ethyl)amino]propanamide
CID 43264184

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-[butyl(cyclopropyl)amino]propanamide?
The IUPAC name of N-(2-aminophenyl)-3-[butyl(cyclopropyl)amino]propanamide (CID 61440644) is N-(2-aminophenyl)-3-[butyl(cyclopropyl)amino]propanamide.
What is the SMILES notation for N-(2-aminophenyl)-3-[butyl(cyclopropyl)amino]propanamide?
The canonical SMILES for N-(2-aminophenyl)-3-[butyl(cyclopropyl)amino]propanamide is CCCCN(CCC(=O)Nc1ccccc1N)C1CC1.
What is the InChIKey of N-(2-aminophenyl)-3-[butyl(cyclopropyl)amino]propanamide?
The InChIKey is KJNKIVKYNQYTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-2-3-11-19(13-8-9-13)12-10-16(20)18-15-7-5-4-6-14(15)17/h4-7,13H,2-3,8-12,17H2,1H3,(H,18,20).
What are the key properties of N-(2-aminophenyl)-3-[butyl(cyclopropyl)amino]propanamide?
N-(2-aminophenyl)-3-[butyl(cyclopropyl)amino]propanamide has a molecular weight of 275.40 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-[butyl(cyclopropyl)amino]propanamide is sourced from PubChem (CID 61440644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).