N-(2-aminophenyl)-3-(1,4-oxazepan-4-yl)propanamide

C14H21N3O2 — CID 55151809

IUPACN-(2-aminophenyl)-3-(1,4-oxazepan-4-yl)propanamide
SMILESNc1ccccc1NC(=O)CCN1CCCOCC1
InChIInChI=1S/C14H21N3O2/c15-12-4-1-2-5-13(12)16-14(18)6-8-17-7-3-10-19-11-9-17/h1-2,4-5H,3,6-11,15H2,(H,16,18)
InChIKeyJKKTYLYUOFQEMV-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.32
Rot. Bonds4

About N-(2-aminophenyl)-3-(1,4-oxazepan-4-yl)propanamide

N-(2-aminophenyl)-3-(1,4-oxazepan-4-yl)propanamide (PubChem CID 55151809) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-(1,4-oxazepan-4-yl)propanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-(1,4-oxazepan-4-yl)propanamide
PubChem CID55151809
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-(2-aminophenyl)-3-(1,4-oxazepan-4-yl)propanamide
SMILESNc1ccccc1NC(=O)CCN1CCCOCC1
InChIInChI=1S/C14H21N3O2/c15-12-4-1-2-5-13(12)16-14(18)6-8-17-7-3-10-19-11-9-17/h1-2,4-5H,3,6-11,15H2,(H,16,18)
InChIKeyJKKTYLYUOFQEMV-UHFFFAOYSA-N
XLogP1.32
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.32
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-(2-fluorophenyl)-3-morpholin-4-ylpropanamide
CID 575001
N-(2-morpholin-4-ylphenyl)-3-piperidin-1-ylpropanamide
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N-(2-amino-4-methoxyphenyl)-3-(1,4-oxazepan-4-yl)propanamide
CID 62988964
N-(4-amino-2-chlorophenyl)-3-(1,4-oxazepan-4-yl)propanamide
CID 62986506
N-(2-aminophenyl)-3-(4-hydroxypiperidin-1-yl)propanamide
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N-(2-aminophenyl)-4-morpholin-4-yl-4-oxobutanamide
CID 119422749
N-(2-aminophenyl)-3-(1,3-dihydroisoindol-2-yl)propanamide
CID 62206919
N-(2-aminophenyl)-4-morpholin-4-yl-4-oxobutanamide;hydrochloride
CID 119422748
N-(2-aminophenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 16778789
N-(2-aminophenyl)-3-(4-benzylpiperazin-1-yl)propanamide
CID 113220983
N-(2-aminophenyl)-3-(4-cyclopropylpiperazin-1-yl)propanamide
CID 61439799
N-(2-aminophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 43590088

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-(1,4-oxazepan-4-yl)propanamide?
The IUPAC name of N-(2-aminophenyl)-3-(1,4-oxazepan-4-yl)propanamide (CID 55151809) is N-(2-aminophenyl)-3-(1,4-oxazepan-4-yl)propanamide.
What is the SMILES notation for N-(2-aminophenyl)-3-(1,4-oxazepan-4-yl)propanamide?
The canonical SMILES for N-(2-aminophenyl)-3-(1,4-oxazepan-4-yl)propanamide is Nc1ccccc1NC(=O)CCN1CCCOCC1.
What is the InChIKey of N-(2-aminophenyl)-3-(1,4-oxazepan-4-yl)propanamide?
The InChIKey is JKKTYLYUOFQEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c15-12-4-1-2-5-13(12)16-14(18)6-8-17-7-3-10-19-11-9-17/h1-2,4-5H,3,6-11,15H2,(H,16,18).
What are the key properties of N-(2-aminophenyl)-3-(1,4-oxazepan-4-yl)propanamide?
N-(2-aminophenyl)-3-(1,4-oxazepan-4-yl)propanamide has a molecular weight of 263.34 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-(1,4-oxazepan-4-yl)propanamide is sourced from PubChem (CID 55151809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).