N-methyl-2-[(3S)-4-methyl-6-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-3-yl]-N-propylacetamide

C20H29N3O4 — CID 95219499

IUPACN-methyl-2-[(3S)-4-methyl-6-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-3-yl]-N-propylacetamide
SMILESCCCN(C)C(=O)C[C@H]1COc2ccc(C(=O)N3CCOCC3)cc2N1C
InChIInChI=1S/C20H29N3O4/c1-4-7-21(2)19(24)13-16-14-27-18-6-5-15(12-17(18)22(16)3)20(25)23-8-10-26-11-9-23/h5-6,12,16H,4,7-11,13-14H2,1-3H3/t16-/m0/s1
InChIKeyMLYJHJLCZGRDGX-INIZCTEOSA-N
MW375.47 g/mol
LogP1.61
Rot. Bonds5

About N-methyl-2-[(3S)-4-methyl-6-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-3-yl]-N-propylacetamide

N-methyl-2-[(3S)-4-methyl-6-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-3-yl]-N-propylacetamide (PubChem CID 95219499) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-methyl-2-[(3S)-4-methyl-6-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-3-yl]-N-propylacetamide.

Molecular Properties

Compound NameN-methyl-2-[(3S)-4-methyl-6-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-3-yl]-N-propylacetamide
PubChem CID95219499
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC NameN-methyl-2-[(3S)-4-methyl-6-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-3-yl]-N-propylacetamide
SMILESCCCN(C)C(=O)C[C@H]1COc2ccc(C(=O)N3CCOCC3)cc2N1C
InChIInChI=1S/C20H29N3O4/c1-4-7-21(2)19(24)13-16-14-27-18-6-5-15(12-17(18)22(16)3)20(25)23-8-10-26-11-9-23/h5-6,12,16H,4,7-11,13-14H2,1-3H3/t16-/m0/s1
InChIKeyMLYJHJLCZGRDGX-INIZCTEOSA-N
XLogP1.61
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-[2-[(3-hydroxy-3-methylbutyl)-methylamino]-2-oxoethyl]-N,N,4-trimethyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide
CID 95554372
(3R)-3-[2-[dicyclopropylmethyl(methyl)amino]-2-oxoethyl]-N,N,4-trimethyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide
CID 95550281
[(3S)-5-methyl-7-(morpholine-4-carbonyl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl] carbamate
CID 175596378
(3S)-N,N,4-trimethyl-3-[2-[methyl(1H-pyrazol-5-ylmethyl)amino]-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide
CID 95223686
3-[2-(2,2-difluoroethylamino)-2-oxoethyl]-N,N,4-trimethyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide
CID 56866531
N-butyl-N-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 110677161
(3S)-N-(2-methoxyethyl)-4-methyl-3-[2-(oxan-4-ylamino)-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide
CID 95561360
3-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]-N,N,4-trimethyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide
CID 56867654
N,N,4-trimethyl-3-[2-oxo-2-[2-(2-oxoimidazolidin-1-yl)ethylamino]ethyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide
CID 56866855
(3S)-N,N,4-trimethyl-3-[2-(2-methylprop-2-enylamino)-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide
CID 95545278
4-[[2-[6-(dimethylcarbamoyl)-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl]acetyl]amino]cyclohexane-1-carboxylic acid
CID 157013275
(3S)-N,N,4-trimethyl-3-[2-[2-(methylsulfamoyl)ethylamino]-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide
CID 95554009

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(3S)-4-methyl-6-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-3-yl]-N-propylacetamide?
The IUPAC name of N-methyl-2-[(3S)-4-methyl-6-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-3-yl]-N-propylacetamide (CID 95219499) is N-methyl-2-[(3S)-4-methyl-6-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-3-yl]-N-propylacetamide.
What is the SMILES notation for N-methyl-2-[(3S)-4-methyl-6-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-3-yl]-N-propylacetamide?
The canonical SMILES for N-methyl-2-[(3S)-4-methyl-6-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-3-yl]-N-propylacetamide is CCCN(C)C(=O)C[C@H]1COc2ccc(C(=O)N3CCOCC3)cc2N1C.
What is the InChIKey of N-methyl-2-[(3S)-4-methyl-6-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-3-yl]-N-propylacetamide?
The InChIKey is MLYJHJLCZGRDGX-INIZCTEOSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-4-7-21(2)19(24)13-16-14-27-18-6-5-15(12-17(18)22(16)3)20(25)23-8-10-26-11-9-23/h5-6,12,16H,4,7-11,13-14H2,1-3H3/t16-/m0/s1.
What are the key properties of N-methyl-2-[(3S)-4-methyl-6-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-3-yl]-N-propylacetamide?
N-methyl-2-[(3S)-4-methyl-6-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-3-yl]-N-propylacetamide has a molecular weight of 375.47 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(3S)-4-methyl-6-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-3-yl]-N-propylacetamide is sourced from PubChem (CID 95219499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).