N-(3-aminophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propanamide

C15H24N4O — CID 28744833

IUPACN-(3-aminophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propanamide
SMILESCN1CCCN(CCC(=O)Nc2cccc(N)c2)CC1
InChIInChI=1S/C15H24N4O/c1-18-7-3-8-19(11-10-18)9-6-15(20)17-14-5-2-4-13(16)12-14/h2,4-5,12H,3,6-11,16H2,1H3,(H,17,20)
InChIKeyXINHYXBPVISRMV-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.23
Rot. Bonds4

About N-(3-aminophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propanamide

N-(3-aminophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propanamide (PubChem CID 28744833) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(3-aminophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propanamide
PubChem CID28744833
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN-(3-aminophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propanamide
SMILESCN1CCCN(CCC(=O)Nc2cccc(N)c2)CC1
InChIInChI=1S/C15H24N4O/c1-18-7-3-8-19(11-10-18)9-6-15(20)17-14-5-2-4-13(16)12-14/h2,4-5,12H,3,6-11,16H2,1H3,(H,17,20)
InChIKeyXINHYXBPVISRMV-UHFFFAOYSA-N
XLogP1.23
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminophenyl)-3-(4-methylazepan-1-yl)propanamide
CID 63624788
N-(3-cyanophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propanamide
CID 28745017
N-(3-aminophenyl)-4-(azocan-1-yl)butanamide
CID 28799889
3-(4-methylpiperazin-1-yl)-N-phenylpropanamide
CID 719539
N-[9-(3-aminoanilino)-7-(3-pyrrolidin-1-ylpropanoylamino)acridin-2-yl]-3-pyrrolidin-1-ylpropanamide
CID 10120542
N-(3-aminophenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 16781245
N-(3-aminophenyl)-3-(2-methylpiperidin-1-yl)propanamide
CID 16778633
N-(3-aminophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 112624398
ethane;N-(3-methylphenyl)-3-piperidin-1-ylpropanamide
CID 143383579
(2R)-2-amino-N-[3-(3-piperidin-1-ylpropanoylamino)phenyl]propanamide
CID 119883310
3-[3-(azepan-1-yl)propanoylamino]benzoic acid
CID 53215946
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-methyl-1,4-diazepan-1-yl)propanamide?
The IUPAC name of N-(3-aminophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propanamide (CID 28744833) is N-(3-aminophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propanamide.
What is the SMILES notation for N-(3-aminophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propanamide?
The canonical SMILES for N-(3-aminophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propanamide is CN1CCCN(CCC(=O)Nc2cccc(N)c2)CC1.
What is the InChIKey of N-(3-aminophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propanamide?
The InChIKey is XINHYXBPVISRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-18-7-3-8-19(11-10-18)9-6-15(20)17-14-5-2-4-13(16)12-14/h2,4-5,12H,3,6-11,16H2,1H3,(H,17,20).
What are the key properties of N-(3-aminophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propanamide?
N-(3-aminophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propanamide has a molecular weight of 276.38 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propanamide is sourced from PubChem (CID 28744833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).