N-(2-nitrophenyl)-6-(phenylcarbamoylamino)oxyhexanamide

C19H22N4O5 — CID 71521457

IUPACN-(2-nitrophenyl)-6-(phenylcarbamoylamino)oxyhexanamide
SMILESO=C(CCCCCONC(=O)Nc1ccccc1)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H22N4O5/c24-18(21-16-11-6-7-12-17(16)23(26)27)13-5-2-8-14-28-22-19(25)20-15-9-3-1-4-10-15/h1,3-4,6-7,9-12H,2,5,8,13-14H2,(H,21,24)(H2,20,22,25)
InChIKeyGFILUTRJCIEDMC-UHFFFAOYSA-N
MW386.41 g/mol
LogP3.85
Rot. Bonds10

About N-(2-nitrophenyl)-6-(phenylcarbamoylamino)oxyhexanamide

N-(2-nitrophenyl)-6-(phenylcarbamoylamino)oxyhexanamide (PubChem CID 71521457) has the molecular formula C19H22N4O5 and a molecular weight of 386.41 g/mol. Its IUPAC name is N-(2-nitrophenyl)-6-(phenylcarbamoylamino)oxyhexanamide.

Molecular Properties

Compound NameN-(2-nitrophenyl)-6-(phenylcarbamoylamino)oxyhexanamide
PubChem CID71521457
Molecular FormulaC19H22N4O5
Molecular Weight386.41 g/mol
Exact Mass386.16
IUPAC NameN-(2-nitrophenyl)-6-(phenylcarbamoylamino)oxyhexanamide
SMILESO=C(CCCCCONC(=O)Nc1ccccc1)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H22N4O5/c24-18(21-16-11-6-7-12-17(16)23(26)27)13-5-2-8-14-28-22-19(25)20-15-9-3-1-4-10-15/h1,3-4,6-7,9-12H,2,5,8,13-14H2,(H,21,24)(H2,20,22,25)
InChIKeyGFILUTRJCIEDMC-UHFFFAOYSA-N
XLogP3.85
TPSA122.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-nitrophenyl)-3-phenylurea
CID 4109613
1-(2-nitrophenyl)-3-propoxyurea
CID 5118634
5-chloro-N-(2-nitrophenyl)pentanamide
CID 43699352
1-ethoxy-3-(2-nitrophenyl)urea
CID 5118633
N,N'-bis(2-nitrophenyl)propanediamide
CID 3819304
3-chloro-N-(2-nitrophenyl)propanamide
CID 4318991
1-pentoxy-3-phenylurea
CID 5118367
1-butoxy-3-phenylurea
CID 4061845
8-[(2-nitrophenyl)carbamoylamino]octanoic acid
CID 15858542
N-benzyl-N'-(2-nitrophenyl)butanediamide
CID 4619061
1-methoxy-3-(2-nitrophenyl)urea
CID 5118632
N-[3-(2-nitroanilino)-3-oxopropyl]benzamide
CID 62707198

Frequently Asked Questions

What is the IUPAC name of N-(2-nitrophenyl)-6-(phenylcarbamoylamino)oxyhexanamide?
The IUPAC name of N-(2-nitrophenyl)-6-(phenylcarbamoylamino)oxyhexanamide (CID 71521457) is N-(2-nitrophenyl)-6-(phenylcarbamoylamino)oxyhexanamide.
What is the SMILES notation for N-(2-nitrophenyl)-6-(phenylcarbamoylamino)oxyhexanamide?
The canonical SMILES for N-(2-nitrophenyl)-6-(phenylcarbamoylamino)oxyhexanamide is O=C(CCCCCONC(=O)Nc1ccccc1)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(2-nitrophenyl)-6-(phenylcarbamoylamino)oxyhexanamide?
The InChIKey is GFILUTRJCIEDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O5/c24-18(21-16-11-6-7-12-17(16)23(26)27)13-5-2-8-14-28-22-19(25)20-15-9-3-1-4-10-15/h1,3-4,6-7,9-12H,2,5,8,13-14H2,(H,21,24)(H2,20,22,25).
What are the key properties of N-(2-nitrophenyl)-6-(phenylcarbamoylamino)oxyhexanamide?
N-(2-nitrophenyl)-6-(phenylcarbamoylamino)oxyhexanamide has a molecular weight of 386.41 g/mol, XLogP of 3.85, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitrophenyl)-6-(phenylcarbamoylamino)oxyhexanamide is sourced from PubChem (CID 71521457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).