2-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethylpropanamide

C10H21ClN2O — CID 103187986

IUPAC2-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethylpropanamide
SMILESCCN(C(=O)C(C)Cl)C(C)CN(C)C
InChIInChI=1S/C10H21ClN2O/c1-6-13(10(14)9(3)11)8(2)7-12(4)5/h8-9H,6-7H2,1-5H3
InChIKeyBCAUOBHPJAIGBC-UHFFFAOYSA-N
MW220.74 g/mol
LogP1.41
Rot. Bonds5

About 2-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethylpropanamide

2-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethylpropanamide (PubChem CID 103187986) has the molecular formula C10H21ClN2O and a molecular weight of 220.74 g/mol. Its IUPAC name is 2-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethylpropanamide.

Molecular Properties

Compound Name2-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethylpropanamide
PubChem CID103187986
Molecular FormulaC10H21ClN2O
Molecular Weight220.74 g/mol
Exact Mass220.13
IUPAC Name2-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethylpropanamide
SMILESCCN(C(=O)C(C)Cl)C(C)CN(C)C
InChIInChI=1S/C10H21ClN2O/c1-6-13(10(14)9(3)11)8(2)7-12(4)5/h8-9H,6-7H2,1-5H3
InChIKeyBCAUOBHPJAIGBC-UHFFFAOYSA-N
XLogP1.41
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.74
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-methylpentanamide
CID 103188616
3-tert-butyl-1-[1-(dimethylamino)propan-2-yl]-1-ethylurea
CID 103188292
(2R)-2-chloro-N,N-bis(2-methylpropyl)propanamide
CID 92660582
3-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-3-methylbutanamide
CID 103188745
2-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-phenylbutanamide
CID 103188646
4-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-hydroxybenzamide
CID 103189268
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-propoxyacetamide
CID 103275017
5-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethylpentanamide
CID 107910746
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-(methylamino)benzamide
CID 103191131
2-amino-6-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzamide
CID 103187354
(2R)-2-[[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]amino]butanoic acid
CID 103190217
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-(2-methoxyethoxy)acetamide
CID 103275016

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethylpropanamide?
The IUPAC name of 2-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethylpropanamide (CID 103187986) is 2-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethylpropanamide.
What is the SMILES notation for 2-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethylpropanamide?
The canonical SMILES for 2-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethylpropanamide is CCN(C(=O)C(C)Cl)C(C)CN(C)C.
What is the InChIKey of 2-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethylpropanamide?
The InChIKey is BCAUOBHPJAIGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21ClN2O/c1-6-13(10(14)9(3)11)8(2)7-12(4)5/h8-9H,6-7H2,1-5H3.
What are the key properties of 2-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethylpropanamide?
2-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethylpropanamide has a molecular weight of 220.74 g/mol, XLogP of 1.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethylpropanamide is sourced from PubChem (CID 103187986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).