N-(3-amino-3-oxopropyl)-N-benzyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

C19H21N3O3 — CID 113224406

IUPACN-(3-amino-3-oxopropyl)-N-benzyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
SMILESNC(=O)CCN(Cc1ccccc1)C(=O)C1CNc2ccccc2O1
InChIInChI=1S/C19H21N3O3/c20-18(23)10-11-22(13-14-6-2-1-3-7-14)19(24)17-12-21-15-8-4-5-9-16(15)25-17/h1-9,17,21H,10-13H2,(H2,20,23)
InChIKeyRWXCVBRZGLCIOP-UHFFFAOYSA-N
MW339.39 g/mol
LogP1.76
Rot. Bonds6

About N-(3-amino-3-oxopropyl)-N-benzyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

N-(3-amino-3-oxopropyl)-N-benzyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (PubChem CID 113224406) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-N-benzyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-N-benzyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
PubChem CID113224406
Molecular FormulaC19H21N3O3
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC NameN-(3-amino-3-oxopropyl)-N-benzyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
SMILESNC(=O)CCN(Cc1ccccc1)C(=O)C1CNc2ccccc2O1
InChIInChI=1S/C19H21N3O3/c20-18(23)10-11-22(13-14-6-2-1-3-7-14)19(24)17-12-21-15-8-4-5-9-16(15)25-17/h1-9,17,21H,10-13H2,(H2,20,23)
InChIKeyRWXCVBRZGLCIOP-UHFFFAOYSA-N
XLogP1.76
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-methyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 24690489
N-(2-amino-2-oxoethyl)-N-butyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 60946313
1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)-4-phenylbutan-1-one
CID 116550220
4-[(3-amino-3-oxopropyl)-benzylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672388
2-[3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl(methyl)amino]acetic acid
CID 61158959
(3S)-N-(3-amino-3-oxopropyl)-N-benzylpiperidine-3-carboxamide
CID 81125382
N-(cyclopropylmethyl)-N-propyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 43401469
(2R)-N-(3-amino-3-oxopropyl)-N-benzylpiperidine-2-carboxamide
CID 104913263
1-N,4-N-bis(3-amino-3-oxopropyl)-1-N,4-N-dibenzylbenzene-1,4-dicarboxamide
CID 28642997
(2S)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
CID 7020375
4-amino-2-(3,4-dihydro-2H-1,4-benzoxazine-2-carbonylamino)-4-oxobutanoic acid
CID 61157734
N,N'-bis(3-amino-3-oxopropyl)-N,N'-dibenzylhexanediamide
CID 28642999

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-N-benzyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-N-benzyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (CID 113224406) is N-(3-amino-3-oxopropyl)-N-benzyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-N-benzyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-N-benzyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is NC(=O)CCN(Cc1ccccc1)C(=O)C1CNc2ccccc2O1.
What is the InChIKey of N-(3-amino-3-oxopropyl)-N-benzyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The InChIKey is RWXCVBRZGLCIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c20-18(23)10-11-22(13-14-6-2-1-3-7-14)19(24)17-12-21-15-8-4-5-9-16(15)25-17/h1-9,17,21H,10-13H2,(H2,20,23).
What are the key properties of N-(3-amino-3-oxopropyl)-N-benzyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
N-(3-amino-3-oxopropyl)-N-benzyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide has a molecular weight of 339.39 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-N-benzyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 113224406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).