2-[1-[hexan-3-ylcarbamoyl(methyl)amino]cyclohexyl]acetic acid

C16H30N2O3 — CID 65240709

IUPAC2-[1-[hexan-3-ylcarbamoyl(methyl)amino]cyclohexyl]acetic acid
SMILESCCCC(CC)NC(=O)N(C)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C16H30N2O3/c1-4-9-13(5-2)17-15(21)18(3)16(12-14(19)20)10-7-6-8-11-16/h13H,4-12H2,1-3H3,(H,17,21)(H,19,20)
InChIKeySOJMWHCBLMNALC-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.38
Rot. Bonds7

About 2-[1-[hexan-3-ylcarbamoyl(methyl)amino]cyclohexyl]acetic acid

2-[1-[hexan-3-ylcarbamoyl(methyl)amino]cyclohexyl]acetic acid (PubChem CID 65240709) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-[1-[hexan-3-ylcarbamoyl(methyl)amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[hexan-3-ylcarbamoyl(methyl)amino]cyclohexyl]acetic acid
PubChem CID65240709
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name2-[1-[hexan-3-ylcarbamoyl(methyl)amino]cyclohexyl]acetic acid
SMILESCCCC(CC)NC(=O)N(C)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C16H30N2O3/c1-4-9-13(5-2)17-15(21)18(3)16(12-14(19)20)10-7-6-8-11-16/h13H,4-12H2,1-3H3,(H,17,21)(H,19,20)
InChIKeySOJMWHCBLMNALC-UHFFFAOYSA-N
XLogP3.38
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[tert-butylcarbamoyl(methyl)amino]cyclohexyl]acetic acid
CID 65242776
2-[1-[methyl(propanoyl)amino]cyclohexyl]acetic acid
CID 65242914
2-[1-[2-aminobutanoyl(methyl)amino]cyclohexyl]acetic acid
CID 65240551
2-[1-[acetyl(methyl)amino]cyclohexyl]acetic acid
CID 65238588
2-[1-[cyclopropylmethylcarbamoyl(methyl)amino]cyclohexyl]acetic acid
CID 65241040
3-[[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]amino]hexanoic acid
CID 114950739
2-(1-aminocyclohexyl)-N-hexan-3-ylacetamide
CID 64679470
1-[2-(hexan-3-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 62119087
2-[1-(dimethylamino)cycloheptyl]acetic acid
CID 64526393
2-[1-[(3-amino-3-oxopropyl)carbamoyl-methylamino]cyclohexyl]acetic acid
CID 65240416
2-[1-[[(2R)-2-aminopropanoyl]-methylamino]cyclohexyl]acetic acid
CID 79005049
2-[1-[[(2S)-2-aminopropanoyl]-methylamino]cyclohexyl]acetic acid
CID 65240598

Frequently Asked Questions

What is the IUPAC name of 2-[1-[hexan-3-ylcarbamoyl(methyl)amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[hexan-3-ylcarbamoyl(methyl)amino]cyclohexyl]acetic acid (CID 65240709) is 2-[1-[hexan-3-ylcarbamoyl(methyl)amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[hexan-3-ylcarbamoyl(methyl)amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[hexan-3-ylcarbamoyl(methyl)amino]cyclohexyl]acetic acid is CCCC(CC)NC(=O)N(C)C1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[hexan-3-ylcarbamoyl(methyl)amino]cyclohexyl]acetic acid?
The InChIKey is SOJMWHCBLMNALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-4-9-13(5-2)17-15(21)18(3)16(12-14(19)20)10-7-6-8-11-16/h13H,4-12H2,1-3H3,(H,17,21)(H,19,20).
What are the key properties of 2-[1-[hexan-3-ylcarbamoyl(methyl)amino]cyclohexyl]acetic acid?
2-[1-[hexan-3-ylcarbamoyl(methyl)amino]cyclohexyl]acetic acid has a molecular weight of 298.43 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[hexan-3-ylcarbamoyl(methyl)amino]cyclohexyl]acetic acid is sourced from PubChem (CID 65240709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).