N-(6-aminohexyl)-N'-(2-ethoxyphenyl)oxamide

C16H25N3O3 — CID 19766776

IUPACN-(6-aminohexyl)-N'-(2-ethoxyphenyl)oxamide
SMILESCCOc1ccccc1NC(=O)C(=O)NCCCCCCN
InChIInChI=1S/C16H25N3O3/c1-2-22-14-10-6-5-9-13(14)19-16(21)15(20)18-12-8-4-3-7-11-17/h5-6,9-10H,2-4,7-8,11-12,17H2,1H3,(H,18,20)(H,19,21)
InChIKeyOKVQHJSFDLZEFK-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.66
Rot. Bonds9

About N-(6-aminohexyl)-N'-(2-ethoxyphenyl)oxamide

N-(6-aminohexyl)-N'-(2-ethoxyphenyl)oxamide (PubChem CID 19766776) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-(6-aminohexyl)-N'-(2-ethoxyphenyl)oxamide.

Molecular Properties

Compound NameN-(6-aminohexyl)-N'-(2-ethoxyphenyl)oxamide
PubChem CID19766776
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC NameN-(6-aminohexyl)-N'-(2-ethoxyphenyl)oxamide
SMILESCCOc1ccccc1NC(=O)C(=O)NCCCCCCN
InChIInChI=1S/C16H25N3O3/c1-2-22-14-10-6-5-9-13(14)19-16(21)15(20)18-12-8-4-3-7-11-17/h5-6,9-10H,2-4,7-8,11-12,17H2,1H3,(H,18,20)(H,19,21)
InChIKeyOKVQHJSFDLZEFK-UHFFFAOYSA-N
XLogP1.66
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-ethoxyphenyl)-N-(3-methoxypropyl)oxamide
CID 2271593
N'-(2-ethoxyphenyl)-N-(2-phenylethyl)oxamide
CID 2274023
N-[3-[4-(dimethylamino)phenyl]propyl]-N'-(2-ethoxyphenyl)oxamide
CID 16892036
4-amino-N-(2-ethoxyphenyl)butanamide;hydrochloride
CID 119263924
1-dodecyl-3-(2-ethoxyphenyl)thiourea
CID 19651397
1-decyl-3-(2-ethoxyphenyl)thiourea
CID 19651220
N-butyl-N'-(2-methoxyphenyl)oxamide
CID 2247832
3-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119263917
1-(2-ethoxyphenyl)-3-(4-phenylbutyl)urea
CID 24818671
1-(3-aminopropyl)-3-(2-methoxyphenyl)urea
CID 62267554
N'-(2-ethoxyphenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)oxamide
CID 90501078
N'-(2-ethoxyphenyl)-N-[(4-methoxyphenyl)methyl]oxamide
CID 2273905

Frequently Asked Questions

What is the IUPAC name of N-(6-aminohexyl)-N'-(2-ethoxyphenyl)oxamide?
The IUPAC name of N-(6-aminohexyl)-N'-(2-ethoxyphenyl)oxamide (CID 19766776) is N-(6-aminohexyl)-N'-(2-ethoxyphenyl)oxamide.
What is the SMILES notation for N-(6-aminohexyl)-N'-(2-ethoxyphenyl)oxamide?
The canonical SMILES for N-(6-aminohexyl)-N'-(2-ethoxyphenyl)oxamide is CCOc1ccccc1NC(=O)C(=O)NCCCCCCN.
What is the InChIKey of N-(6-aminohexyl)-N'-(2-ethoxyphenyl)oxamide?
The InChIKey is OKVQHJSFDLZEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-2-22-14-10-6-5-9-13(14)19-16(21)15(20)18-12-8-4-3-7-11-17/h5-6,9-10H,2-4,7-8,11-12,17H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-(6-aminohexyl)-N'-(2-ethoxyphenyl)oxamide?
N-(6-aminohexyl)-N'-(2-ethoxyphenyl)oxamide has a molecular weight of 307.39 g/mol, XLogP of 1.66, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-aminohexyl)-N'-(2-ethoxyphenyl)oxamide is sourced from PubChem (CID 19766776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).