4-amino-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide

C19H21N3O3 — CID 119712469

IUPAC4-amino-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide
SMILESNc1ccc(C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C19H21N3O3/c20-16-5-3-15(4-6-16)19(24)21-17-7-1-14(2-8-17)13-18(23)22-9-11-25-12-10-22/h1-8H,9-13,20H2,(H,21,24)
InChIKeyCXXTWFWHKDYYDO-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.92
Rot. Bonds4

About 4-amino-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide

4-amino-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide (PubChem CID 119712469) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-amino-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide
PubChem CID119712469
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name4-amino-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide
SMILESNc1ccc(C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C19H21N3O3/c20-16-5-3-15(4-6-16)19(24)21-17-7-1-14(2-8-17)13-18(23)22-9-11-25-12-10-22/h1-8H,9-13,20H2,(H,21,24)
InChIKeyCXXTWFWHKDYYDO-UHFFFAOYSA-N
XLogP1.92
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.92
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

5-amino-2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide
CID 120620954
N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-4-prop-2-enoxybenzamide
CID 39940708
3-fluoro-4-methoxy-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide
CID 39939250
1-amino-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]cyclohexane-1-carboxamide
CID 119283363
2-[[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]carbamoyl]pyridine-4-carboxylic acid
CID 122056089
N-[4-[(4-ethylphenyl)carbamoyl]phenyl]morpholine-4-carboxamide
CID 110178513
1-[[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 120549290
2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]butanamide
CID 46455504
4-amino-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]pentanamide
CID 120559975
4-chloro-2-fluoro-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide
CID 39940048
4-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
CID 43707293
2-amino-2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]pentanamide
CID 119712509

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide?
The IUPAC name of 4-amino-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide (CID 119712469) is 4-amino-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide.
What is the SMILES notation for 4-amino-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide?
The canonical SMILES for 4-amino-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide is Nc1ccc(C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)cc1.
What is the InChIKey of 4-amino-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide?
The InChIKey is CXXTWFWHKDYYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c20-16-5-3-15(4-6-16)19(24)21-17-7-1-14(2-8-17)13-18(23)22-9-11-25-12-10-22/h1-8H,9-13,20H2,(H,21,24).
What are the key properties of 4-amino-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide?
4-amino-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide has a molecular weight of 339.40 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide is sourced from PubChem (CID 119712469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).