3-amino-4-(2-methoxyethylamino)-N-(2-morpholin-4-ylethyl)benzamide

C16H26N4O3 — CID 67448727

IUPAC3-amino-4-(2-methoxyethylamino)-N-(2-morpholin-4-ylethyl)benzamide
SMILESCOCCNc1ccc(C(=O)NCCN2CCOCC2)cc1N
InChIInChI=1S/C16H26N4O3/c1-22-9-5-18-15-3-2-13(12-14(15)17)16(21)19-4-6-20-7-10-23-11-8-20/h2-3,12,18H,4-11,17H2,1H3,(H,19,21)
InChIKeyRRHTWEDKLXRRDA-UHFFFAOYSA-N
MW322.41 g/mol
LogP0.39
Rot. Bonds8

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

3-amino-4-(2-methoxyethylamino)-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 67448727) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is 3-amino-4-(2-methoxyethylamino)-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name3-amino-4-(2-methoxyethylamino)-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID67448727
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name3-amino-4-(2-methoxyethylamino)-N-(2-morpholin-4-ylethyl)benzamide
SMILESCOCCNc1ccc(C(=O)NCCN2CCOCC2)cc1N
InChIInChI=1S/C16H26N4O3/c1-22-9-5-18-15-3-2-13(12-14(15)17)16(21)19-4-6-20-7-10-23-11-8-20/h2-3,12,18H,4-11,17H2,1H3,(H,19,21)
InChIKeyRRHTWEDKLXRRDA-UHFFFAOYSA-N
XLogP0.39
TPSA88.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(methoxymethyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 51218992
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
3-amino-N-ethyl-4-(2-thiomorpholin-4-ylethylamino)benzamide
CID 106324843
3-amino-N-methyl-4-(2-pyrrolidin-1-ylethylamino)benzamide
CID 82988789
3-iodo-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 134052243
6-methyl-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide
CID 142825868
4-butoxy-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 51159452
3-amino-5-methoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 81090153
4-N-tert-butyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109045886
3-chloro-4-(methanesulfonamido)-N-(2-morpholin-4-ylethyl)benzamide
CID 43910063
N-(2-methoxyethyl)-4-(2-morpholin-4-ylethylsulfamoyl)benzamide
CID 109059683
4-methoxy-N-(2-morpholin-4-ylethyl)-3-pentoxybenzamide
CID 19363436

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2-methoxyethylamino)-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 3-amino-4-(2-methoxyethylamino)-N-(2-morpholin-4-ylethyl)benzamide (CID 67448727) is 3-amino-4-(2-methoxyethylamino)-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 3-amino-4-(2-methoxyethylamino)-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 3-amino-4-(2-methoxyethylamino)-N-(2-morpholin-4-ylethyl)benzamide is COCCNc1ccc(C(=O)NCCN2CCOCC2)cc1N.
What is the InChIKey of 3-amino-4-(2-methoxyethylamino)-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is RRHTWEDKLXRRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-22-9-5-18-15-3-2-13(12-14(15)17)16(21)19-4-6-20-7-10-23-11-8-20/h2-3,12,18H,4-11,17H2,1H3,(H,19,21).
What are the key properties of 3-amino-4-(2-methoxyethylamino)-N-(2-morpholin-4-ylethyl)benzamide?
3-amino-4-(2-methoxyethylamino)-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 322.41 g/mol, XLogP of 0.39, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2-methoxyethylamino)-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 67448727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).