N-(3-aminophenyl)-3-(4-methylazepan-1-yl)propanamide

C16H25N3O — CID 63624788

IUPACN-(3-aminophenyl)-3-(4-methylazepan-1-yl)propanamide
SMILESCC1CCCN(CCC(=O)Nc2cccc(N)c2)CC1
InChIInChI=1S/C16H25N3O/c1-13-4-3-9-19(10-7-13)11-8-16(20)18-15-6-2-5-14(17)12-15/h2,5-6,12-13H,3-4,7-11,17H2,1H3,(H,18,20)
InChIKeyHAXBLCXDDNPQDC-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.72
Rot. Bonds4

About N-(3-aminophenyl)-3-(4-methylazepan-1-yl)propanamide

N-(3-aminophenyl)-3-(4-methylazepan-1-yl)propanamide (PubChem CID 63624788) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-(3-aminophenyl)-3-(4-methylazepan-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-3-(4-methylazepan-1-yl)propanamide
PubChem CID63624788
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-(3-aminophenyl)-3-(4-methylazepan-1-yl)propanamide
SMILESCC1CCCN(CCC(=O)Nc2cccc(N)c2)CC1
InChIInChI=1S/C16H25N3O/c1-13-4-3-9-19(10-7-13)11-8-16(20)18-15-6-2-5-14(17)12-15/h2,5-6,12-13H,3-4,7-11,17H2,1H3,(H,18,20)
InChIKeyHAXBLCXDDNPQDC-UHFFFAOYSA-N
XLogP2.72
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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'}

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Related Compounds

N-(3-aminophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propanamide
CID 28744833
N-(3-chlorophenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 109014570
N-(4-amino-2-methylphenyl)-3-(4-methylazepan-1-yl)propanamide
CID 63623312
N-(3-aminophenyl)-4-(azocan-1-yl)butanamide
CID 28799889
N-(3-methylphenyl)-3-[(3R)-3-methylpiperidin-1-yl]propanamide
CID 739962
N-(3-methylphenyl)-3-(3-methylpiperidin-1-yl)propanamide;hydrochloride
CID 24747038
N-(3-aminophenyl)-3-(2-methylpiperidin-1-yl)propanamide
CID 16778633
N-(3-aminophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 112624398
N-(3-amino-4-fluorophenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 16778601
N-(3-aminophenyl)-4-(2-methylpyrrolidin-1-yl)butanamide
CID 54881953
3-[(3S)-3-methylpiperidin-1-yl]-N-phenylpropanamide
CID 739976
N-(3-aminophenyl)-4-(3-ethylpiperidin-1-yl)butanamide
CID 43584150

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-3-(4-methylazepan-1-yl)propanamide?
The IUPAC name of N-(3-aminophenyl)-3-(4-methylazepan-1-yl)propanamide (CID 63624788) is N-(3-aminophenyl)-3-(4-methylazepan-1-yl)propanamide.
What is the SMILES notation for N-(3-aminophenyl)-3-(4-methylazepan-1-yl)propanamide?
The canonical SMILES for N-(3-aminophenyl)-3-(4-methylazepan-1-yl)propanamide is CC1CCCN(CCC(=O)Nc2cccc(N)c2)CC1.
What is the InChIKey of N-(3-aminophenyl)-3-(4-methylazepan-1-yl)propanamide?
The InChIKey is HAXBLCXDDNPQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-13-4-3-9-19(10-7-13)11-8-16(20)18-15-6-2-5-14(17)12-15/h2,5-6,12-13H,3-4,7-11,17H2,1H3,(H,18,20).
What are the key properties of N-(3-aminophenyl)-3-(4-methylazepan-1-yl)propanamide?
N-(3-aminophenyl)-3-(4-methylazepan-1-yl)propanamide has a molecular weight of 275.40 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-3-(4-methylazepan-1-yl)propanamide is sourced from PubChem (CID 63624788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).