N-[2-(4-chlorobutanoylamino)ethyl]-2-ethylbutanamide

C12H23ClN2O2 — CID 108573864

IUPACN-[2-(4-chlorobutanoylamino)ethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCCNC(=O)CCCCl
InChIInChI=1S/C12H23ClN2O2/c1-3-10(4-2)12(17)15-9-8-14-11(16)6-5-7-13/h10H,3-9H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyRBMPFWYBDYFCJO-UHFFFAOYSA-N
MW262.78 g/mol
LogP1.67
Rot. Bonds9

About N-[2-(4-chlorobutanoylamino)ethyl]-2-ethylbutanamide

N-[2-(4-chlorobutanoylamino)ethyl]-2-ethylbutanamide (PubChem CID 108573864) has the molecular formula C12H23ClN2O2 and a molecular weight of 262.78 g/mol. Its IUPAC name is N-[2-(4-chlorobutanoylamino)ethyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[2-(4-chlorobutanoylamino)ethyl]-2-ethylbutanamide
PubChem CID108573864
Molecular FormulaC12H23ClN2O2
Molecular Weight262.78 g/mol
Exact Mass262.14
IUPAC NameN-[2-(4-chlorobutanoylamino)ethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCCNC(=O)CCCCl
InChIInChI=1S/C12H23ClN2O2/c1-3-10(4-2)12(17)15-9-8-14-11(16)6-5-7-13/h10H,3-9H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyRBMPFWYBDYFCJO-UHFFFAOYSA-N
XLogP1.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-4-chlorobutanamide
CID 4218503
N-[2-(3-chloropropanoylamino)ethyl]pentanamide
CID 108573823
4-chloro-N-[2-[(2-methoxyacetyl)amino]ethyl]butanamide
CID 108574582
N-butyl-5-chloropentanamide
CID 28733165
4-chloro-N-[3-(methylamino)-3-oxopropyl]butanamide
CID 63308286
4-chloro-N-[2-(diethylamino)ethyl]butanamide
CID 16784552
4-chloro-N-(2-ethylsulfanylethyl)butanamide
CID 82109496
N-(3-chloropropyl)dodecanamide
CID 17164369
N-(5-chloro-2,2-dimethylpentyl)-2-ethylbutanamide
CID 106144319
4-chloro-N-pentan-3-ylbutanamide
CID 16788679
N-[2-(4-chlorobutanoylamino)ethyl]-4-(dimethylamino)benzamide
CID 108574903
5-chloro-N-nonylpentanamide
CID 91692760

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorobutanoylamino)ethyl]-2-ethylbutanamide?
The IUPAC name of N-[2-(4-chlorobutanoylamino)ethyl]-2-ethylbutanamide (CID 108573864) is N-[2-(4-chlorobutanoylamino)ethyl]-2-ethylbutanamide.
What is the SMILES notation for N-[2-(4-chlorobutanoylamino)ethyl]-2-ethylbutanamide?
The canonical SMILES for N-[2-(4-chlorobutanoylamino)ethyl]-2-ethylbutanamide is CCC(CC)C(=O)NCCNC(=O)CCCCl.
What is the InChIKey of N-[2-(4-chlorobutanoylamino)ethyl]-2-ethylbutanamide?
The InChIKey is RBMPFWYBDYFCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23ClN2O2/c1-3-10(4-2)12(17)15-9-8-14-11(16)6-5-7-13/h10H,3-9H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N-[2-(4-chlorobutanoylamino)ethyl]-2-ethylbutanamide?
N-[2-(4-chlorobutanoylamino)ethyl]-2-ethylbutanamide has a molecular weight of 262.78 g/mol, XLogP of 1.67, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorobutanoylamino)ethyl]-2-ethylbutanamide is sourced from PubChem (CID 108573864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).