6-(carbamoylamino)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)hexanamide

C16H22N4O4 — CID 18164565

IUPAC6-(carbamoylamino)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)hexanamide
SMILESCC1Oc2ccc(NC(=O)CCCCCNC(N)=O)cc2NC1=O
InChIInChI=1S/C16H22N4O4/c1-10-15(22)20-12-9-11(6-7-13(12)24-10)19-14(21)5-3-2-4-8-18-16(17)23/h6-7,9-10H,2-5,8H2,1H3,(H,19,21)(H,20,22)(H3,17,18,23)
InChIKeyKZLMZQRASYXTQV-UHFFFAOYSA-N
MW334.38 g/mol
LogP1.57
Rot. Bonds7

About 6-(carbamoylamino)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)hexanamide

6-(carbamoylamino)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)hexanamide (PubChem CID 18164565) has the molecular formula C16H22N4O4 and a molecular weight of 334.38 g/mol. Its IUPAC name is 6-(carbamoylamino)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)hexanamide.

Molecular Properties

Compound Name6-(carbamoylamino)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)hexanamide
PubChem CID18164565
Molecular FormulaC16H22N4O4
Molecular Weight334.38 g/mol
Exact Mass334.16
IUPAC Name6-(carbamoylamino)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)hexanamide
SMILESCC1Oc2ccc(NC(=O)CCCCCNC(N)=O)cc2NC1=O
InChIInChI=1S/C16H22N4O4/c1-10-15(22)20-12-9-11(6-7-13(12)24-10)19-14(21)5-3-2-4-8-18-16(17)23/h6-7,9-10H,2-5,8H2,1H3,(H,19,21)(H,20,22)(H3,17,18,23)
InChIKeyKZLMZQRASYXTQV-UHFFFAOYSA-N
XLogP1.57
TPSA122.55 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 51.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)butanamide;hydrochloride
CID 119273981
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide
CID 42506170
3-(cyclopropylamino)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 60867993
4-(4-chlorophenyl)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]butanamide
CID 51958466
2-ethoxy-N-[4-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-4-oxobutyl]benzamide
CID 9148068
2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)ethylurea
CID 115168535
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(prop-2-enylamino)acetamide
CID 79284913
3-(4-ethylphenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 84938811
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-pyridin-2-ylbutanamide
CID 51592779
(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)carbamic acid
CID 115170648
3-(3,4-dimethylphenyl)sulfanyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide
CID 9145471
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanamide
CID 9145214

Frequently Asked Questions

What is the IUPAC name of 6-(carbamoylamino)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)hexanamide?
The IUPAC name of 6-(carbamoylamino)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)hexanamide (CID 18164565) is 6-(carbamoylamino)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)hexanamide.
What is the SMILES notation for 6-(carbamoylamino)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)hexanamide?
The canonical SMILES for 6-(carbamoylamino)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)hexanamide is CC1Oc2ccc(NC(=O)CCCCCNC(N)=O)cc2NC1=O.
What is the InChIKey of 6-(carbamoylamino)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)hexanamide?
The InChIKey is KZLMZQRASYXTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4/c1-10-15(22)20-12-9-11(6-7-13(12)24-10)19-14(21)5-3-2-4-8-18-16(17)23/h6-7,9-10H,2-5,8H2,1H3,(H,19,21)(H,20,22)(H3,17,18,23).
What are the key properties of 6-(carbamoylamino)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)hexanamide?
6-(carbamoylamino)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)hexanamide has a molecular weight of 334.38 g/mol, XLogP of 1.57, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(carbamoylamino)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)hexanamide is sourced from PubChem (CID 18164565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).