N-ethyl-2-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylamino]propanamide

C15H21N3O3 — CID 43574158

IUPACN-ethyl-2-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylamino]propanamide
SMILESCCNC(=O)C(C)NC(C)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C15H21N3O3/c1-4-16-15(20)10(3)17-9(2)11-5-6-13-12(7-11)18-14(19)8-21-13/h5-7,9-10,17H,4,8H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyLHRJRBCSLIIZHD-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.19
Rot. Bonds5

About N-ethyl-2-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylamino]propanamide

N-ethyl-2-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylamino]propanamide (PubChem CID 43574158) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-ethyl-2-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylamino]propanamide.

Molecular Properties

Compound NameN-ethyl-2-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylamino]propanamide
PubChem CID43574158
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-ethyl-2-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylamino]propanamide
SMILESCCNC(=O)C(C)NC(C)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C15H21N3O3/c1-4-16-15(20)10(3)17-9(2)11-5-6-13-12(7-11)18-14(19)8-21-13/h5-7,9-10,17H,4,8H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyLHRJRBCSLIIZHD-UHFFFAOYSA-N
XLogP1.19
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]amino]-N-[(2S)-pentan-2-yl]propanamide
CID 34331873
(2S)-N-tert-butyl-2-[[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]amino]propanamide
CID 34328305
2-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylamino]propanoic acid
CID 61499457
6-[(1S)-1-[[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]amino]ethyl]-4H-1,4-benzoxazin-3-one
CID 34326521
2-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylamino]acetic acid
CID 43135032
6-[1-(but-3-yn-2-ylamino)ethyl]-4H-1,4-benzoxazin-3-one
CID 114415203
2-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylamino]ethylurea
CID 83110297
6-[1-(4-methoxybutan-2-ylamino)ethyl]-4H-1,4-benzoxazin-3-one
CID 64600292
1-methyl-1-(4-methylpentan-2-yl)-3-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]urea
CID 71892905
1-(3-hydroxypropyl)-3-[(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]urea
CID 94149101
6-[(1R)-1-hydroxyethyl]-4H-1,4-benzoxazin-3-one
CID 47003494
N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]prop-2-enamide
CID 166407009

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylamino]propanamide?
The IUPAC name of N-ethyl-2-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylamino]propanamide (CID 43574158) is N-ethyl-2-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylamino]propanamide.
What is the SMILES notation for N-ethyl-2-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylamino]propanamide?
The canonical SMILES for N-ethyl-2-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylamino]propanamide is CCNC(=O)C(C)NC(C)c1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of N-ethyl-2-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylamino]propanamide?
The InChIKey is LHRJRBCSLIIZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-4-16-15(20)10(3)17-9(2)11-5-6-13-12(7-11)18-14(19)8-21-13/h5-7,9-10,17H,4,8H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of N-ethyl-2-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylamino]propanamide?
N-ethyl-2-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylamino]propanamide has a molecular weight of 291.35 g/mol, XLogP of 1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylamino]propanamide is sourced from PubChem (CID 43574158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).