N-(3-aminophenyl)-2-[cyclopropylmethyl(propyl)amino]propanamide

C16H25N3O — CID 43588029

IUPACN-(3-aminophenyl)-2-[cyclopropylmethyl(propyl)amino]propanamide
SMILESCCCN(CC1CC1)C(C)C(=O)Nc1cccc(N)c1
InChIInChI=1S/C16H25N3O/c1-3-9-19(11-13-7-8-13)12(2)16(20)18-15-6-4-5-14(17)10-15/h4-6,10,12-13H,3,7-9,11,17H2,1-2H3,(H,18,20)
InChIKeyXEIFONJZZDTKTP-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.72
Rot. Bonds7

About N-(3-aminophenyl)-2-[cyclopropylmethyl(propyl)amino]propanamide

N-(3-aminophenyl)-2-[cyclopropylmethyl(propyl)amino]propanamide (PubChem CID 43588029) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-[cyclopropylmethyl(propyl)amino]propanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-[cyclopropylmethyl(propyl)amino]propanamide
PubChem CID43588029
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-(3-aminophenyl)-2-[cyclopropylmethyl(propyl)amino]propanamide
SMILESCCCN(CC1CC1)C(C)C(=O)Nc1cccc(N)c1
InChIInChI=1S/C16H25N3O/c1-3-9-19(11-13-7-8-13)12(2)16(20)18-15-6-4-5-14(17)10-15/h4-6,10,12-13H,3,7-9,11,17H2,1-2H3,(H,18,20)
InChIKeyXEIFONJZZDTKTP-UHFFFAOYSA-N
XLogP2.72
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-aminophenyl)-2-[cyclopropylmethyl(propyl)amino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-aminophenyl)-2-(dipropylamino)propanamide
CID 16778715
N-(3-cyanophenyl)-2-[cyclopropylmethyl(propyl)amino]propanamide
CID 60689256
N-[4-(aminomethyl)phenyl]-2-[cyclopropylmethyl(propyl)amino]propanamide
CID 43479003
2-[(2-amino-2-oxoethyl)-ethylamino]-N-(3-aminophenyl)propanamide
CID 103101365
N-(3-aminophenyl)-2-[3-(dimethylamino)propyl-ethylamino]propanamide
CID 102991480
N-(3-aminophenyl)-2-[butyl(ethyl)amino]-3-methylbutanamide
CID 82224645
N-(3-aminophenyl)-2-[cyclopropyl(3-methylbutyl)amino]propanamide
CID 78973756
3-[[1-(3-aminoanilino)-1-oxopropan-2-yl]-methylamino]propanoic acid
CID 82224712
N-(2-cyanophenyl)-2-[cyclopropylmethyl(propyl)amino]propanamide
CID 60689300
(2S)-N-(3-aminophenyl)-2-methylbutanamide
CID 40788840
N-(3-aminophenyl)-2-[cycloheptyl(methyl)amino]propanamide
CID 43613799
(2R)-N-(3-aminophenyl)-2-methylpentanamide
CID 40788841

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-[cyclopropylmethyl(propyl)amino]propanamide?
The IUPAC name of N-(3-aminophenyl)-2-[cyclopropylmethyl(propyl)amino]propanamide (CID 43588029) is N-(3-aminophenyl)-2-[cyclopropylmethyl(propyl)amino]propanamide.
What is the SMILES notation for N-(3-aminophenyl)-2-[cyclopropylmethyl(propyl)amino]propanamide?
The canonical SMILES for N-(3-aminophenyl)-2-[cyclopropylmethyl(propyl)amino]propanamide is CCCN(CC1CC1)C(C)C(=O)Nc1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-2-[cyclopropylmethyl(propyl)amino]propanamide?
The InChIKey is XEIFONJZZDTKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-9-19(11-13-7-8-13)12(2)16(20)18-15-6-4-5-14(17)10-15/h4-6,10,12-13H,3,7-9,11,17H2,1-2H3,(H,18,20).
What are the key properties of N-(3-aminophenyl)-2-[cyclopropylmethyl(propyl)amino]propanamide?
N-(3-aminophenyl)-2-[cyclopropylmethyl(propyl)amino]propanamide has a molecular weight of 275.40 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-[cyclopropylmethyl(propyl)amino]propanamide is sourced from PubChem (CID 43588029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).