3-amino-5-methoxy-N-(2-morpholin-4-ylethyl)benzamide

C14H21N3O3 — CID 81090153

IUPAC3-amino-5-methoxy-N-(2-morpholin-4-ylethyl)benzamide
SMILESCOc1cc(N)cc(C(=O)NCCN2CCOCC2)c1
InChIInChI=1S/C14H21N3O3/c1-19-13-9-11(8-12(15)10-13)14(18)16-2-3-17-4-6-20-7-5-17/h8-10H,2-7,15H2,1H3,(H,16,18)
InChIKeyNPJWIRYSJCSOQD-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.34
Rot. Bonds5

About 3-amino-5-methoxy-N-(2-morpholin-4-ylethyl)benzamide

3-amino-5-methoxy-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 81090153) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-amino-5-methoxy-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name3-amino-5-methoxy-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID81090153
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name3-amino-5-methoxy-N-(2-morpholin-4-ylethyl)benzamide
SMILESCOc1cc(N)cc(C(=O)NCCN2CCOCC2)c1
InChIInChI=1S/C14H21N3O3/c1-19-13-9-11(8-12(15)10-13)14(18)16-2-3-17-4-6-20-7-5-17/h8-10H,2-7,15H2,1H3,(H,16,18)
InChIKeyNPJWIRYSJCSOQD-UHFFFAOYSA-N
XLogP0.34
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.34
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

3,5-dimethoxy-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]benzamide
CID 110285157
1-(3,5-dimethoxyphenyl)-3-(2-morpholin-4-ylethyl)urea
CID 16645776
4-methoxy-N-(2-morpholin-4-ylethylcarbamoyl)benzamide
CID 23875507
2,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 51072890
3-amino-N-(2-cyclopropylethyl)-5-methoxybenzamide
CID 81092217
5-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 117088063
2-methoxy-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 84580344
2-morpholin-4-ylethyl 3,5-dimethoxybenzoate
CID 50896866
3-amino-N-but-3-ynyl-5-methoxybenzamide
CID 81091765
3-amino-4-(2-methoxyethylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 67448727
6-methyl-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide
CID 142825868
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methoxy-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 3-amino-5-methoxy-N-(2-morpholin-4-ylethyl)benzamide (CID 81090153) is 3-amino-5-methoxy-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 3-amino-5-methoxy-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 3-amino-5-methoxy-N-(2-morpholin-4-ylethyl)benzamide is COc1cc(N)cc(C(=O)NCCN2CCOCC2)c1.
What is the InChIKey of 3-amino-5-methoxy-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is NPJWIRYSJCSOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-19-13-9-11(8-12(15)10-13)14(18)16-2-3-17-4-6-20-7-5-17/h8-10H,2-7,15H2,1H3,(H,16,18).
What are the key properties of 3-amino-5-methoxy-N-(2-morpholin-4-ylethyl)benzamide?
3-amino-5-methoxy-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 279.34 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methoxy-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 81090153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).