4-chloro-N-[2-(diethylamino)ethyl]butanamide

C10H21ClN2O — CID 16784552

IUPAC4-chloro-N-[2-(diethylamino)ethyl]butanamide
SMILESCCN(CC)CCNC(=O)CCCCl
InChIInChI=1S/C10H21ClN2O/c1-3-13(4-2)9-8-12-10(14)6-5-7-11/h3-9H2,1-2H3,(H,12,14)
InChIKeyROSNGQRSCBUMKB-UHFFFAOYSA-N
MW220.74 g/mol
LogP1.46
Rot. Bonds8

About 4-chloro-N-[2-(diethylamino)ethyl]butanamide

4-chloro-N-[2-(diethylamino)ethyl]butanamide (PubChem CID 16784552) has the molecular formula C10H21ClN2O and a molecular weight of 220.74 g/mol. Its IUPAC name is 4-chloro-N-[2-(diethylamino)ethyl]butanamide.

Molecular Properties

Compound Name4-chloro-N-[2-(diethylamino)ethyl]butanamide
PubChem CID16784552
Molecular FormulaC10H21ClN2O
Molecular Weight220.74 g/mol
Exact Mass220.13
IUPAC Name4-chloro-N-[2-(diethylamino)ethyl]butanamide
SMILESCCN(CC)CCNC(=O)CCCCl
InChIInChI=1S/C10H21ClN2O/c1-3-13(4-2)9-8-12-10(14)6-5-7-11/h3-9H2,1-2H3,(H,12,14)
InChIKeyROSNGQRSCBUMKB-UHFFFAOYSA-N
XLogP1.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.74
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis[4-[2-(diethylamino)ethylamino]-4-oxobutyl] oxalate
CID 57320771
N-[2-(diethylamino)ethyl]-4-(propan-2-ylamino)butanamide
CID 60849509
N-butyl-4-chlorobutanamide
CID 4218503
N-[2-(diethylamino)ethyl]-16-methylheptadecanamide
CID 87505331
N-[2-(diethylamino)ethyl]-4,4-dimethylpentanamide
CID 59170011
N-[2-(4-chlorophenyl)ethyl]-N'-[2-(diethylamino)ethyl]pentanediamide
CID 3939091
3-[bis[3-[bis[6-(diethylamino)-3-oxohexyl]amino]propyl]amino]-N-[2-(diethylamino)ethyl]propanamide
CID 165064161
2-(carbamoylamino)-N-[2-(diethylamino)ethyl]acetamide
CID 127518867
N-[3-(diethylamino)propyl]-4-oxobutanamide
CID 87316109
N-butyl-5-chloropentanamide
CID 28733165
4-chloro-N-[3-(methylamino)-3-oxopropyl]butanamide
CID 63308286
4-(4-chlorophenyl)sulfanyl-N-[2-(diethylamino)ethyl]butanamide
CID 112759806

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(diethylamino)ethyl]butanamide?
The IUPAC name of 4-chloro-N-[2-(diethylamino)ethyl]butanamide (CID 16784552) is 4-chloro-N-[2-(diethylamino)ethyl]butanamide.
What is the SMILES notation for 4-chloro-N-[2-(diethylamino)ethyl]butanamide?
The canonical SMILES for 4-chloro-N-[2-(diethylamino)ethyl]butanamide is CCN(CC)CCNC(=O)CCCCl.
What is the InChIKey of 4-chloro-N-[2-(diethylamino)ethyl]butanamide?
The InChIKey is ROSNGQRSCBUMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21ClN2O/c1-3-13(4-2)9-8-12-10(14)6-5-7-11/h3-9H2,1-2H3,(H,12,14).
What are the key properties of 4-chloro-N-[2-(diethylamino)ethyl]butanamide?
4-chloro-N-[2-(diethylamino)ethyl]butanamide has a molecular weight of 220.74 g/mol, XLogP of 1.46, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(diethylamino)ethyl]butanamide is sourced from PubChem (CID 16784552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).