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

C17H27N3O — CID 78973756

IUPACN-(3-aminophenyl)-2-[cyclopropyl(3-methylbutyl)amino]propanamide
SMILESCC(C)CCN(C1CC1)C(C)C(=O)Nc1cccc(N)c1
InChIInChI=1S/C17H27N3O/c1-12(2)9-10-20(16-7-8-16)13(3)17(21)19-15-6-4-5-14(18)11-15/h4-6,11-13,16H,7-10,18H2,1-3H3,(H,19,21)
InChIKeySWKMVMJKIYNNLN-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.11
Rot. Bonds7

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

N-(3-aminophenyl)-2-[cyclopropyl(3-methylbutyl)amino]propanamide (PubChem CID 78973756) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-[cyclopropyl(3-methylbutyl)amino]propanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-[cyclopropyl(3-methylbutyl)amino]propanamide
PubChem CID78973756
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-(3-aminophenyl)-2-[cyclopropyl(3-methylbutyl)amino]propanamide
SMILESCC(C)CCN(C1CC1)C(C)C(=O)Nc1cccc(N)c1
InChIInChI=1S/C17H27N3O/c1-12(2)9-10-20(16-7-8-16)13(3)17(21)19-15-6-4-5-14(18)11-15/h4-6,11-13,16H,7-10,18H2,1-3H3,(H,19,21)
InChIKeySWKMVMJKIYNNLN-UHFFFAOYSA-N
XLogP3.11
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.11
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-(aminomethyl)phenyl]-2-[cyclopropyl(propyl)amino]propanamide
CID 43270105
N-(3-aminophenyl)-2-[cycloheptyl(methyl)amino]propanamide
CID 43613799
N-(3-aminophenyl)-2-(dipropylamino)propanamide
CID 16778715
N-(3-aminophenyl)-2-[cyclopropylmethyl(propyl)amino]propanamide
CID 43588029
3-[[1-(3-aminoanilino)-1-oxopropan-2-yl]-methylamino]propanoic acid
CID 82224712
N-(3-aminophenyl)-2-[methyl(oxan-4-yl)amino]propanamide
CID 43610700
3-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]benzoic acid
CID 78973685
N-(4-aminophenyl)-2-[cyclopropyl(2-methoxyethyl)amino]propanamide
CID 61450272
2-[butyl(cyclopropyl)amino]-N-(3-cyanophenyl)propanamide
CID 61441386
N-(3-aminophenyl)-2-[2-methoxyethyl(methyl)amino]propanamide
CID 61429180
2-[2-aminoethyl(cyclopentyl)amino]-N-phenylpropanamide
CID 63761281
N-(3-amino-4-chlorophenyl)-2-[butyl(cyclopropyl)amino]propanamide
CID 61440840

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-[cyclopropyl(3-methylbutyl)amino]propanamide?
The IUPAC name of N-(3-aminophenyl)-2-[cyclopropyl(3-methylbutyl)amino]propanamide (CID 78973756) is N-(3-aminophenyl)-2-[cyclopropyl(3-methylbutyl)amino]propanamide.
What is the SMILES notation for N-(3-aminophenyl)-2-[cyclopropyl(3-methylbutyl)amino]propanamide?
The canonical SMILES for N-(3-aminophenyl)-2-[cyclopropyl(3-methylbutyl)amino]propanamide is CC(C)CCN(C1CC1)C(C)C(=O)Nc1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-2-[cyclopropyl(3-methylbutyl)amino]propanamide?
The InChIKey is SWKMVMJKIYNNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-12(2)9-10-20(16-7-8-16)13(3)17(21)19-15-6-4-5-14(18)11-15/h4-6,11-13,16H,7-10,18H2,1-3H3,(H,19,21).
What are the key properties of N-(3-aminophenyl)-2-[cyclopropyl(3-methylbutyl)amino]propanamide?
N-(3-aminophenyl)-2-[cyclopropyl(3-methylbutyl)amino]propanamide has a molecular weight of 289.42 g/mol, XLogP of 3.11, 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-[cyclopropyl(3-methylbutyl)amino]propanamide is sourced from PubChem (CID 78973756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).