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

C15H23N3O3 — CID 62988964

IUPACN-(2-amino-4-methoxyphenyl)-3-(1,4-oxazepan-4-yl)propanamide
SMILESCOc1ccc(NC(=O)CCN2CCCOCC2)c(N)c1
InChIInChI=1S/C15H23N3O3/c1-20-12-3-4-14(13(16)11-12)17-15(19)5-7-18-6-2-9-21-10-8-18/h3-4,11H,2,5-10,16H2,1H3,(H,17,19)
InChIKeyFRHXVEBMNPWHPK-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.33
Rot. Bonds5

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

N-(2-amino-4-methoxyphenyl)-3-(1,4-oxazepan-4-yl)propanamide (PubChem CID 62988964) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(2-amino-4-methoxyphenyl)-3-(1,4-oxazepan-4-yl)propanamide.

Molecular Properties

Compound NameN-(2-amino-4-methoxyphenyl)-3-(1,4-oxazepan-4-yl)propanamide
PubChem CID62988964
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-(2-amino-4-methoxyphenyl)-3-(1,4-oxazepan-4-yl)propanamide
SMILESCOc1ccc(NC(=O)CCN2CCCOCC2)c(N)c1
InChIInChI=1S/C15H23N3O3/c1-20-12-3-4-14(13(16)11-12)17-15(19)5-7-18-6-2-9-21-10-8-18/h3-4,11H,2,5-10,16H2,1H3,(H,17,19)
InChIKeyFRHXVEBMNPWHPK-UHFFFAOYSA-N
XLogP1.33
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 772656
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CID 16779432
N-(2-aminophenyl)-3-(1,4-oxazepan-4-yl)propanamide
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N-(4-amino-2-chlorophenyl)-3-(1,4-oxazepan-4-yl)propanamide
CID 62986506
N-(2-amino-4-methoxyphenyl)-4-thiomorpholin-4-ylbutanamide
CID 28556237
3-(azepan-1-yl)-N-(2,4-dimethoxyphenyl)propanamide;hydrochloride
CID 2901116
N-(2-amino-4-methoxyphenyl)-3-(4-methylpyrazol-1-yl)propanamide
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N-(2-amino-4-methoxyphenyl)-2-(oxan-4-yloxy)acetamide
CID 61288778
N-(2,4-dimethoxyphenyl)-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide
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N-(2-amino-4-methoxyphenyl)nonanamide
CID 65449480
2-amino-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 80503310
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CID 91830032

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methoxyphenyl)-3-(1,4-oxazepan-4-yl)propanamide?
The IUPAC name of N-(2-amino-4-methoxyphenyl)-3-(1,4-oxazepan-4-yl)propanamide (CID 62988964) is N-(2-amino-4-methoxyphenyl)-3-(1,4-oxazepan-4-yl)propanamide.
What is the SMILES notation for N-(2-amino-4-methoxyphenyl)-3-(1,4-oxazepan-4-yl)propanamide?
The canonical SMILES for N-(2-amino-4-methoxyphenyl)-3-(1,4-oxazepan-4-yl)propanamide is COc1ccc(NC(=O)CCN2CCCOCC2)c(N)c1.
What is the InChIKey of N-(2-amino-4-methoxyphenyl)-3-(1,4-oxazepan-4-yl)propanamide?
The InChIKey is FRHXVEBMNPWHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-20-12-3-4-14(13(16)11-12)17-15(19)5-7-18-6-2-9-21-10-8-18/h3-4,11H,2,5-10,16H2,1H3,(H,17,19).
What are the key properties of N-(2-amino-4-methoxyphenyl)-3-(1,4-oxazepan-4-yl)propanamide?
N-(2-amino-4-methoxyphenyl)-3-(1,4-oxazepan-4-yl)propanamide has a molecular weight of 293.37 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methoxyphenyl)-3-(1,4-oxazepan-4-yl)propanamide is sourced from PubChem (CID 62988964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).