2-(4-aminophenyl)-N-[3-(cyclopropylmethoxy)propyl]-2-methylpropanamide

C17H26N2O2 — CID 80555501

IUPAC2-(4-aminophenyl)-N-[3-(cyclopropylmethoxy)propyl]-2-methylpropanamide
SMILESCC(C)(C(=O)NCCCOCC1CC1)c1ccc(N)cc1
InChIInChI=1S/C17H26N2O2/c1-17(2,14-6-8-15(18)9-7-14)16(20)19-10-3-11-21-12-13-4-5-13/h6-9,13H,3-5,10-12,18H2,1-2H3,(H,19,20)
InChIKeyMTMXDAKPACBDGY-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.48
Rot. Bonds8

About 2-(4-aminophenyl)-N-[3-(cyclopropylmethoxy)propyl]-2-methylpropanamide

2-(4-aminophenyl)-N-[3-(cyclopropylmethoxy)propyl]-2-methylpropanamide (PubChem CID 80555501) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[3-(cyclopropylmethoxy)propyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[3-(cyclopropylmethoxy)propyl]-2-methylpropanamide
PubChem CID80555501
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-(4-aminophenyl)-N-[3-(cyclopropylmethoxy)propyl]-2-methylpropanamide
SMILESCC(C)(C(=O)NCCCOCC1CC1)c1ccc(N)cc1
InChIInChI=1S/C17H26N2O2/c1-17(2,14-6-8-15(18)9-7-14)16(20)19-10-3-11-21-12-13-4-5-13/h6-9,13H,3-5,10-12,18H2,1-2H3,(H,19,20)
InChIKeyMTMXDAKPACBDGY-UHFFFAOYSA-N
XLogP2.48
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminophenyl)-N-[3-(2-methoxyethoxy)propyl]-2-methylpropanamide
CID 80555633
2-(4-aminophenyl)-N-(3-hydroxypropyl)-2-methylpropanamide
CID 68786932
2-(4-aminophenyl)-N-(6-hydroxyhexyl)-2-methylpropanamide
CID 107842398
3-amino-N-[3-(cyclopropylmethoxy)propyl]-2,2-dimethyl-3-sulfanylidenepropanamide
CID 114098055
5-amino-2-bromo-N-[3-(cyclopropylmethoxy)propyl]benzamide
CID 115297054
N-(3-methoxypropyl)-2-methyl-2-(4-methylphenyl)propanamide
CID 113198021
2-(4-aminophenyl)-N-(3-hydroxybutyl)-2-methylpropanamide
CID 80556154
2-(4-aminophenyl)-N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpropanamide
CID 80556787
2-(4-aminophenyl)-2-methyl-N-(thiolan-3-ylmethyl)propanamide
CID 107295913
2-(4-aminophenyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methylpropanamide
CID 80555464
(2S)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-phenylacetamide
CID 93093422
2-(4-aminophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]-2-methylpropanamide
CID 80554939

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[3-(cyclopropylmethoxy)propyl]-2-methylpropanamide?
The IUPAC name of 2-(4-aminophenyl)-N-[3-(cyclopropylmethoxy)propyl]-2-methylpropanamide (CID 80555501) is 2-(4-aminophenyl)-N-[3-(cyclopropylmethoxy)propyl]-2-methylpropanamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[3-(cyclopropylmethoxy)propyl]-2-methylpropanamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[3-(cyclopropylmethoxy)propyl]-2-methylpropanamide is CC(C)(C(=O)NCCCOCC1CC1)c1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-[3-(cyclopropylmethoxy)propyl]-2-methylpropanamide?
The InChIKey is MTMXDAKPACBDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-17(2,14-6-8-15(18)9-7-14)16(20)19-10-3-11-21-12-13-4-5-13/h6-9,13H,3-5,10-12,18H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-aminophenyl)-N-[3-(cyclopropylmethoxy)propyl]-2-methylpropanamide?
2-(4-aminophenyl)-N-[3-(cyclopropylmethoxy)propyl]-2-methylpropanamide has a molecular weight of 290.41 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[3-(cyclopropylmethoxy)propyl]-2-methylpropanamide is sourced from PubChem (CID 80555501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).