6-[[ethyl(propan-2-yl)carbamoyl]amino]-4,4-dimethylhexanoic acid

C14H28N2O3 — CID 65289831

IUPAC6-[[ethyl(propan-2-yl)carbamoyl]amino]-4,4-dimethylhexanoic acid
SMILESCCN(C(=O)NCCC(C)(C)CCC(=O)O)C(C)C
InChIInChI=1S/C14H28N2O3/c1-6-16(11(2)3)13(19)15-10-9-14(4,5)8-7-12(17)18/h11H,6-10H2,1-5H3,(H,15,19)(H,17,18)
InChIKeyYJJKAOZGIWAVOB-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.71
Rot. Bonds8

About 6-[[ethyl(propan-2-yl)carbamoyl]amino]-4,4-dimethylhexanoic acid

6-[[ethyl(propan-2-yl)carbamoyl]amino]-4,4-dimethylhexanoic acid (PubChem CID 65289831) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 6-[[ethyl(propan-2-yl)carbamoyl]amino]-4,4-dimethylhexanoic acid.

Molecular Properties

Compound Name6-[[ethyl(propan-2-yl)carbamoyl]amino]-4,4-dimethylhexanoic acid
PubChem CID65289831
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name6-[[ethyl(propan-2-yl)carbamoyl]amino]-4,4-dimethylhexanoic acid
SMILESCCN(C(=O)NCCC(C)(C)CCC(=O)O)C(C)C
InChIInChI=1S/C14H28N2O3/c1-6-16(11(2)3)13(19)15-10-9-14(4,5)8-7-12(17)18/h11H,6-10H2,1-5H3,(H,15,19)(H,17,18)
InChIKeyYJJKAOZGIWAVOB-UHFFFAOYSA-N
XLogP2.71
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-4,4-dimethylhexanoic acid
CID 65287610
6-[[ethyl(2-methylpropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid
CID 65290122
6-[[2-hydroxypropyl(methyl)carbamoyl]amino]-4,4-dimethylhexanoic acid
CID 65287485
4,4-dimethyl-6-(propanoylamino)hexanoic acid
CID 65284298
6-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid
CID 65287805
4,4-dimethyl-6-(propan-2-ylcarbamoylamino)hexanoic acid
CID 65284966
4,4-dimethyl-6-(propan-2-yloxycarbonylamino)hexanoic acid
CID 65285506
4,4-dimethyl-6-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]hexanoic acid
CID 65289121
4,4-dimethyl-6-(3,4,4-trimethylpentanoylamino)hexanoic acid
CID 65284261
6-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4,4-dimethylhexanoic acid
CID 65289219
6-amino-N-ethyl-4,4-dimethyl-N-propan-2-ylhexanamide
CID 65292760
6-(2-cyclopropylpropanoylamino)-4,4-dimethylhexanoic acid
CID 83147001

Frequently Asked Questions

What is the IUPAC name of 6-[[ethyl(propan-2-yl)carbamoyl]amino]-4,4-dimethylhexanoic acid?
The IUPAC name of 6-[[ethyl(propan-2-yl)carbamoyl]amino]-4,4-dimethylhexanoic acid (CID 65289831) is 6-[[ethyl(propan-2-yl)carbamoyl]amino]-4,4-dimethylhexanoic acid.
What is the SMILES notation for 6-[[ethyl(propan-2-yl)carbamoyl]amino]-4,4-dimethylhexanoic acid?
The canonical SMILES for 6-[[ethyl(propan-2-yl)carbamoyl]amino]-4,4-dimethylhexanoic acid is CCN(C(=O)NCCC(C)(C)CCC(=O)O)C(C)C.
What is the InChIKey of 6-[[ethyl(propan-2-yl)carbamoyl]amino]-4,4-dimethylhexanoic acid?
The InChIKey is YJJKAOZGIWAVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-6-16(11(2)3)13(19)15-10-9-14(4,5)8-7-12(17)18/h11H,6-10H2,1-5H3,(H,15,19)(H,17,18).
What are the key properties of 6-[[ethyl(propan-2-yl)carbamoyl]amino]-4,4-dimethylhexanoic acid?
6-[[ethyl(propan-2-yl)carbamoyl]amino]-4,4-dimethylhexanoic acid has a molecular weight of 272.39 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[ethyl(propan-2-yl)carbamoyl]amino]-4,4-dimethylhexanoic acid is sourced from PubChem (CID 65289831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).