2-(3-aminophenyl)-N-(3-methyl-2-propan-2-ylbutyl)propanamide

C17H28N2O — CID 106591920

IUPAC2-(3-aminophenyl)-N-(3-methyl-2-propan-2-ylbutyl)propanamide
SMILESCC(C(=O)NCC(C(C)C)C(C)C)c1cccc(N)c1
InChIInChI=1S/C17H28N2O/c1-11(2)16(12(3)4)10-19-17(20)13(5)14-7-6-8-15(18)9-14/h6-9,11-13,16H,10,18H2,1-5H3,(H,19,20)
InChIKeyKEQUJULTXDVCQR-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.42
Rot. Bonds6

About 2-(3-aminophenyl)-N-(3-methyl-2-propan-2-ylbutyl)propanamide

2-(3-aminophenyl)-N-(3-methyl-2-propan-2-ylbutyl)propanamide (PubChem CID 106591920) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-(3-methyl-2-propan-2-ylbutyl)propanamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-(3-methyl-2-propan-2-ylbutyl)propanamide
PubChem CID106591920
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-(3-aminophenyl)-N-(3-methyl-2-propan-2-ylbutyl)propanamide
SMILESCC(C(=O)NCC(C(C)C)C(C)C)c1cccc(N)c1
InChIInChI=1S/C17H28N2O/c1-11(2)16(12(3)4)10-19-17(20)13(5)14-7-6-8-15(18)9-14/h6-9,11-13,16H,10,18H2,1-5H3,(H,19,20)
InChIKeyKEQUJULTXDVCQR-UHFFFAOYSA-N
XLogP3.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminophenyl)-N-(2,3,3-trimethylbutyl)propanamide
CID 106591730
2-(3-aminophenyl)-N-(2-phenylpropyl)propanamide
CID 106591039
2-(3-aminophenyl)-N-(2-cyclopropylpropyl)propanamide
CID 106591805
2-(3-aminophenyl)-N-(3,3-dimethylbutyl)propanamide
CID 106591847
2-(3-aminophenyl)-N-(4-methylpentyl)propanamide
CID 106591173
2-(3-aminophenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide
CID 106591406
2-(3-aminophenyl)-N-(2-ethyl-2-hydroxybutyl)propanamide
CID 106591538
tert-butyl N-[2-[2-(3-aminophenyl)propanoylamino]ethyl]carbamate
CID 106591886
2-(3-aminophenyl)-N-[2-(4-hydroxyphenyl)ethyl]propanamide
CID 106591189
2-(3-aminophenyl)-N-[(2-bromophenyl)methyl]propanamide
CID 106591203
2-(3-aminophenyl)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 106590796
2-(3-aminophenyl)-N-(4-propan-2-yloxybutyl)propanamide
CID 106006140

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-(3-methyl-2-propan-2-ylbutyl)propanamide?
The IUPAC name of 2-(3-aminophenyl)-N-(3-methyl-2-propan-2-ylbutyl)propanamide (CID 106591920) is 2-(3-aminophenyl)-N-(3-methyl-2-propan-2-ylbutyl)propanamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-(3-methyl-2-propan-2-ylbutyl)propanamide?
The canonical SMILES for 2-(3-aminophenyl)-N-(3-methyl-2-propan-2-ylbutyl)propanamide is CC(C(=O)NCC(C(C)C)C(C)C)c1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-(3-methyl-2-propan-2-ylbutyl)propanamide?
The InChIKey is KEQUJULTXDVCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-11(2)16(12(3)4)10-19-17(20)13(5)14-7-6-8-15(18)9-14/h6-9,11-13,16H,10,18H2,1-5H3,(H,19,20).
What are the key properties of 2-(3-aminophenyl)-N-(3-methyl-2-propan-2-ylbutyl)propanamide?
2-(3-aminophenyl)-N-(3-methyl-2-propan-2-ylbutyl)propanamide has a molecular weight of 276.42 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-(3-methyl-2-propan-2-ylbutyl)propanamide is sourced from PubChem (CID 106591920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).