3-chloro-2,2-dimethyl-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide

C12H25ClN2O — CID 106033672

IUPAC3-chloro-2,2-dimethyl-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide
SMILESCC(C)N(C)CCCNC(=O)C(C)(C)CCl
InChIInChI=1S/C12H25ClN2O/c1-10(2)15(5)8-6-7-14-11(16)12(3,4)9-13/h10H,6-9H2,1-5H3,(H,14,16)
InChIKeyOYMBFRQMSKQOPK-UHFFFAOYSA-N
MW248.80 g/mol
LogP2.10
Rot. Bonds7

About 3-chloro-2,2-dimethyl-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide

3-chloro-2,2-dimethyl-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide (PubChem CID 106033672) has the molecular formula C12H25ClN2O and a molecular weight of 248.80 g/mol. Its IUPAC name is 3-chloro-2,2-dimethyl-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide.

Molecular Properties

Compound Name3-chloro-2,2-dimethyl-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide
PubChem CID106033672
Molecular FormulaC12H25ClN2O
Molecular Weight248.80 g/mol
Exact Mass248.17
IUPAC Name3-chloro-2,2-dimethyl-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide
SMILESCC(C)N(C)CCCNC(=O)C(C)(C)CCl
InChIInChI=1S/C12H25ClN2O/c1-10(2)15(5)8-6-7-14-11(16)12(3,4)9-13/h10H,6-9H2,1-5H3,(H,14,16)
InChIKeyOYMBFRQMSKQOPK-UHFFFAOYSA-N
XLogP2.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.80
LogP ≤ 52.10
H-Bond Donors ≤ 51
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

2-amino-2-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide
CID 106047758
2,2-dimethyl-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide
CID 71936802
2-carbamothioyl-2-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide
CID 106035423
2-methoxy-2-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide
CID 113233457
(2S)-2-amino-3,3-dimethyl-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide
CID 114140545
(2S)-2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide
CID 106047587
3-chloro-N-[3-(dimethylamino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 63680934
3-chloro-N-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]propanamide
CID 106041039
3-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]-2-sulfanylbutanamide
CID 106040675
3-chloro-2,2-dimethyl-N-(2-propan-2-ylsulfanylethyl)propanamide
CID 82108659
3-chloro-2,2-dimethyl-N-(5,5,5-trifluoropentyl)propanamide
CID 115517695
3-chloro-N-[3-(N-ethylanilino)propyl]-2,2-dimethylpropanamide
CID 63679963

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,2-dimethyl-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide?
The IUPAC name of 3-chloro-2,2-dimethyl-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide (CID 106033672) is 3-chloro-2,2-dimethyl-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide.
What is the SMILES notation for 3-chloro-2,2-dimethyl-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide?
The canonical SMILES for 3-chloro-2,2-dimethyl-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide is CC(C)N(C)CCCNC(=O)C(C)(C)CCl.
What is the InChIKey of 3-chloro-2,2-dimethyl-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide?
The InChIKey is OYMBFRQMSKQOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25ClN2O/c1-10(2)15(5)8-6-7-14-11(16)12(3,4)9-13/h10H,6-9H2,1-5H3,(H,14,16).
What are the key properties of 3-chloro-2,2-dimethyl-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide?
3-chloro-2,2-dimethyl-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide has a molecular weight of 248.80 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,2-dimethyl-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide is sourced from PubChem (CID 106033672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).