3-(4-aminophenyl)-N-(cyclopropylmethyl)-N-propylbutanamide

C17H26N2O — CID 104502211

IUPAC3-(4-aminophenyl)-N-(cyclopropylmethyl)-N-propylbutanamide
SMILESCCCN(CC1CC1)C(=O)CC(C)c1ccc(N)cc1
InChIInChI=1S/C17H26N2O/c1-3-10-19(12-14-4-5-14)17(20)11-13(2)15-6-8-16(18)9-7-15/h6-9,13-14H,3-5,10-12,18H2,1-2H3
InChIKeyOWGWCAPBGOKDAB-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.41
Rot. Bonds7

About 3-(4-aminophenyl)-N-(cyclopropylmethyl)-N-propylbutanamide

3-(4-aminophenyl)-N-(cyclopropylmethyl)-N-propylbutanamide (PubChem CID 104502211) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-(cyclopropylmethyl)-N-propylbutanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-(cyclopropylmethyl)-N-propylbutanamide
PubChem CID104502211
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-(4-aminophenyl)-N-(cyclopropylmethyl)-N-propylbutanamide
SMILESCCCN(CC1CC1)C(=O)CC(C)c1ccc(N)cc1
InChIInChI=1S/C17H26N2O/c1-3-10-19(12-14-4-5-14)17(20)11-13(2)15-6-8-16(18)9-7-15/h6-9,13-14H,3-5,10-12,18H2,1-2H3
InChIKeyOWGWCAPBGOKDAB-UHFFFAOYSA-N
XLogP3.41
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-aminophenyl)-N,N-dipropylbutanamide
CID 104501970
3-(4-aminophenyl)-N-propyl-N-prop-2-ynylbutanamide
CID 104502911
3-(4-aminophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)butanamide
CID 104502203
2-[3-(4-aminophenyl)butanoyl-(carboxymethyl)amino]acetic acid
CID 104502627
3-(4-aminophenyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylbutanamide
CID 104502770
(2S)-2-amino-N-(cyclopropylmethyl)-2-phenyl-N-propylacetamide
CID 93193539
3-(4-aminophenyl)-N-pentyl-N-propan-2-ylbutanamide
CID 104502295
2-amino-N-(cyclopropylmethyl)-N-propylbenzamide
CID 22493330
3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylbutanamide
CID 104502632
3-amino-N-(cyclopropylmethyl)-5,5-dimethyl-N-propylhexanamide
CID 113496982
1-(4-aminophenyl)-2-[cyclopropylmethyl(propyl)amino]ethanol
CID 55055537
3-(4-aminophenyl)-N-methyl-N-(2-methylcyclohexyl)butanamide
CID 104502286

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-(cyclopropylmethyl)-N-propylbutanamide?
The IUPAC name of 3-(4-aminophenyl)-N-(cyclopropylmethyl)-N-propylbutanamide (CID 104502211) is 3-(4-aminophenyl)-N-(cyclopropylmethyl)-N-propylbutanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-(cyclopropylmethyl)-N-propylbutanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-(cyclopropylmethyl)-N-propylbutanamide is CCCN(CC1CC1)C(=O)CC(C)c1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N-(cyclopropylmethyl)-N-propylbutanamide?
The InChIKey is OWGWCAPBGOKDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-10-19(12-14-4-5-14)17(20)11-13(2)15-6-8-16(18)9-7-15/h6-9,13-14H,3-5,10-12,18H2,1-2H3.
What are the key properties of 3-(4-aminophenyl)-N-(cyclopropylmethyl)-N-propylbutanamide?
3-(4-aminophenyl)-N-(cyclopropylmethyl)-N-propylbutanamide has a molecular weight of 274.41 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-(cyclopropylmethyl)-N-propylbutanamide is sourced from PubChem (CID 104502211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).