2-(3-chloropropanoylamino)-N,N-diethylpropanamide

C10H19ClN2O2 — CID 43696191

IUPAC2-(3-chloropropanoylamino)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)NC(=O)CCCl
InChIInChI=1S/C10H19ClN2O2/c1-4-13(5-2)10(15)8(3)12-9(14)6-7-11/h8H,4-7H2,1-3H3,(H,12,14)
InChIKeyMDWFZUWQOMSROA-UHFFFAOYSA-N
MW234.73 g/mol
LogP0.99
Rot. Bonds6

About 2-(3-chloropropanoylamino)-N,N-diethylpropanamide

2-(3-chloropropanoylamino)-N,N-diethylpropanamide (PubChem CID 43696191) has the molecular formula C10H19ClN2O2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 2-(3-chloropropanoylamino)-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-(3-chloropropanoylamino)-N,N-diethylpropanamide
PubChem CID43696191
Molecular FormulaC10H19ClN2O2
Molecular Weight234.73 g/mol
Exact Mass234.11
IUPAC Name2-(3-chloropropanoylamino)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)NC(=O)CCCl
InChIInChI=1S/C10H19ClN2O2/c1-4-13(5-2)10(15)8(3)12-9(14)6-7-11/h8H,4-7H2,1-3H3,(H,12,14)
InChIKeyMDWFZUWQOMSROA-UHFFFAOYSA-N
XLogP0.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 50.99
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

6-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-4,4-dimethylhexanamide
CID 65290645
5-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-3-methyl-5-oxopentanoic acid
CID 62964214
2-(3-chloropropanoylamino)propanamide
CID 43545572
3-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-3-methylbutanamide
CID 64685595
methyl N-[1-(diethylamino)-1-oxopropan-2-yl]carbamate
CID 115590943
N,N-diethyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]propanamide
CID 112604570
N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]butanamide
CID 110280366
N,N-diethyl-2-(2-methoxypropanoylamino)propanamide
CID 115588502
3-chloro-N-pentan-3-ylpropanamide
CID 16783824
2-bromo-N-[1-(diethylamino)-1-oxopropan-2-yl]butanamide
CID 62856660
1-[2-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60941748
N,N-diethyl-2-(pentan-2-ylamino)propanamide
CID 43113164

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropanoylamino)-N,N-diethylpropanamide?
The IUPAC name of 2-(3-chloropropanoylamino)-N,N-diethylpropanamide (CID 43696191) is 2-(3-chloropropanoylamino)-N,N-diethylpropanamide.
What is the SMILES notation for 2-(3-chloropropanoylamino)-N,N-diethylpropanamide?
The canonical SMILES for 2-(3-chloropropanoylamino)-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)NC(=O)CCCl.
What is the InChIKey of 2-(3-chloropropanoylamino)-N,N-diethylpropanamide?
The InChIKey is MDWFZUWQOMSROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClN2O2/c1-4-13(5-2)10(15)8(3)12-9(14)6-7-11/h8H,4-7H2,1-3H3,(H,12,14).
What are the key properties of 2-(3-chloropropanoylamino)-N,N-diethylpropanamide?
2-(3-chloropropanoylamino)-N,N-diethylpropanamide has a molecular weight of 234.73 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropanoylamino)-N,N-diethylpropanamide is sourced from PubChem (CID 43696191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).