3-chloro-N-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]propanamide

C11H22ClN3O2 — CID 106041039

IUPAC3-chloro-N-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]propanamide
SMILESCC(C)N(C)CCCNC(=O)NC(=O)CCCl
InChIInChI=1S/C11H22ClN3O2/c1-9(2)15(3)8-4-7-13-11(17)14-10(16)5-6-12/h9H,4-8H2,1-3H3,(H2,13,14,16,17)
InChIKeyPPZZSSZGSIFVDZ-UHFFFAOYSA-N
MW263.77 g/mol
LogP1.17
Rot. Bonds7

About 3-chloro-N-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]propanamide

3-chloro-N-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]propanamide (PubChem CID 106041039) has the molecular formula C11H22ClN3O2 and a molecular weight of 263.77 g/mol. Its IUPAC name is 3-chloro-N-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]propanamide
PubChem CID106041039
Molecular FormulaC11H22ClN3O2
Molecular Weight263.77 g/mol
Exact Mass263.14
IUPAC Name3-chloro-N-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]propanamide
SMILESCC(C)N(C)CCCNC(=O)NC(=O)CCCl
InChIInChI=1S/C11H22ClN3O2/c1-9(2)15(3)8-4-7-13-11(17)14-10(16)5-6-12/h9H,4-8H2,1-3H3,(H2,13,14,16,17)
InChIKeyPPZZSSZGSIFVDZ-UHFFFAOYSA-N
XLogP1.17
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3-chloro-2,2-dimethyl-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide
CID 106033672
(2S)-2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide
CID 106047587
3-chloro-N-[2-(methanesulfonamido)ethylcarbamoyl]propanamide
CID 43546318
(2S)-2-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]propanoic acid
CID 106039229
(2R)-2-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]butanoic acid
CID 106039191
3-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]-2-sulfanylbutanamide
CID 106040675
6-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]hexanoic acid
CID 62636535
2-methoxy-3-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]propanoic acid
CID 106110731
(2S)-4-hydroxy-2-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]butanoic acid
CID 114139590
4-methyl-2-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]pentanoic acid
CID 103995873
N-(2-hydroxyethyl)-3-[methyl(propan-2-yl)amino]propanamide
CID 169177259
(2R)-5-amino-2-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]-5-oxopentanoic acid
CID 106039241

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]propanamide?
The IUPAC name of 3-chloro-N-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]propanamide (CID 106041039) is 3-chloro-N-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]propanamide.
What is the SMILES notation for 3-chloro-N-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]propanamide?
The canonical SMILES for 3-chloro-N-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]propanamide is CC(C)N(C)CCCNC(=O)NC(=O)CCCl.
What is the InChIKey of 3-chloro-N-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]propanamide?
The InChIKey is PPZZSSZGSIFVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClN3O2/c1-9(2)15(3)8-4-7-13-11(17)14-10(16)5-6-12/h9H,4-8H2,1-3H3,(H2,13,14,16,17).
What are the key properties of 3-chloro-N-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]propanamide?
3-chloro-N-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]propanamide has a molecular weight of 263.77 g/mol, XLogP of 1.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]propanamide is sourced from PubChem (CID 106041039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).