2-chloro-N,N-bis[(2R)-2-ethylhexyl]acetamide

C18H36ClNO — CID 129361637

IUPAC2-chloro-N,N-bis[(2R)-2-ethylhexyl]acetamide
SMILESCCCCC(CC)CN(C[C@H](CC)CCCC)C(=O)CCl
InChIInChI=1S/C18H36ClNO/c1-5-9-11-16(7-3)14-20(18(21)13-19)15-17(8-4)12-10-6-2/h16-17H,5-15H2,1-4H3/t16-,17?/m1/s1
InChIKeyGTLDINRZFOGPQE-TZHYSIJRSA-N
MW317.95 g/mol
LogP5.49
Rot. Bonds13

About 2-chloro-N,N-bis[(2R)-2-ethylhexyl]acetamide

2-chloro-N,N-bis[(2R)-2-ethylhexyl]acetamide (PubChem CID 129361637) has the molecular formula C18H36ClNO and a molecular weight of 317.95 g/mol. Its IUPAC name is 2-chloro-N,N-bis[(2R)-2-ethylhexyl]acetamide.

Molecular Properties

Compound Name2-chloro-N,N-bis[(2R)-2-ethylhexyl]acetamide
PubChem CID129361637
Molecular FormulaC18H36ClNO
Molecular Weight317.95 g/mol
Exact Mass317.25
IUPAC Name2-chloro-N,N-bis[(2R)-2-ethylhexyl]acetamide
SMILESCCCCC(CC)CN(C[C@H](CC)CCCC)C(=O)CCl
InChIInChI=1S/C18H36ClNO/c1-5-9-11-16(7-3)14-20(18(21)13-19)15-17(8-4)12-10-6-2/h16-17H,5-15H2,1-4H3/t16-,17?/m1/s1
InChIKeyGTLDINRZFOGPQE-TZHYSIJRSA-N
XLogP5.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.95
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N,N',N'-tetrakis(2-ethylhexyl)hexanediamide
CID 20752277
N,N-bis[(2R)-2-ethylhexyl]-2-[2-[[(2S)-2-ethylhexyl]-[(2R)-2-ethylhexyl]amino]-2-oxoethoxy]acetamide
CID 125400279
bis(2-ethylhexyl)carbamothioic S-acid
CID 25087104
2-[bis[2-[bis(2-ethylhexyl)amino]-2-oxoethyl]amino]acetic acid
CID 138501386
2,2-diethyl-N,N,N',N'-tetrakis(2-ethylhexyl)propanediamide
CID 20752249
propyl 6-[bis(2-ethylhexyl)amino]-6-oxohexanoate
CID 91717811
1,1,2,2-tetrakis(2-ethylhexyl)hydrazine
CID 123650144
hexakis(N,N-bis(2-ethylhexyl)carbamodithioate);molybdenum
CID 18173000
tetrakis(N,N-bis(2-ethylhexyl)carbamodithioate);molybdenum(4+)
CID 14251989
(E)-N,N,N'-tris(2-ethylhexyl)-N'-(2-ethyl-3-methylbutyl)but-2-enediamide
CID 21053692
2-[2-[bis(2-ethylhexyl)amino]-2-sulfanylideneethoxy]acetamide
CID 175930212
dipotassium;3-[2-carboxylatoethyl(2-ethylhexyl)amino]propanoate
CID 142284997

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-bis[(2R)-2-ethylhexyl]acetamide?
The IUPAC name of 2-chloro-N,N-bis[(2R)-2-ethylhexyl]acetamide (CID 129361637) is 2-chloro-N,N-bis[(2R)-2-ethylhexyl]acetamide.
What is the SMILES notation for 2-chloro-N,N-bis[(2R)-2-ethylhexyl]acetamide?
The canonical SMILES for 2-chloro-N,N-bis[(2R)-2-ethylhexyl]acetamide is CCCCC(CC)CN(C[C@H](CC)CCCC)C(=O)CCl.
What is the InChIKey of 2-chloro-N,N-bis[(2R)-2-ethylhexyl]acetamide?
The InChIKey is GTLDINRZFOGPQE-TZHYSIJRSA-N. The full InChI is InChI=1S/C18H36ClNO/c1-5-9-11-16(7-3)14-20(18(21)13-19)15-17(8-4)12-10-6-2/h16-17H,5-15H2,1-4H3/t16-,17?/m1/s1.
What are the key properties of 2-chloro-N,N-bis[(2R)-2-ethylhexyl]acetamide?
2-chloro-N,N-bis[(2R)-2-ethylhexyl]acetamide has a molecular weight of 317.95 g/mol, XLogP of 5.49, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-bis[(2R)-2-ethylhexyl]acetamide is sourced from PubChem (CID 129361637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).