N-(3-amino-3-oxopropyl)-3-chloro-2-methylpropanamide

C7H13ClN2O2 — CID 62728851

IUPACN-(3-amino-3-oxopropyl)-3-chloro-2-methylpropanamide
SMILESCC(CCl)C(=O)NCCC(N)=O
InChIInChI=1S/C7H13ClN2O2/c1-5(4-8)7(12)10-3-2-6(9)11/h5H,2-4H2,1H3,(H2,9,11)(H,10,12)
InChIKeyQPMCQTUSMSWMFJ-UHFFFAOYSA-N
MW192.65 g/mol
LogP-0.15
Rot. Bonds5

About N-(3-amino-3-oxopropyl)-3-chloro-2-methylpropanamide

N-(3-amino-3-oxopropyl)-3-chloro-2-methylpropanamide (PubChem CID 62728851) has the molecular formula C7H13ClN2O2 and a molecular weight of 192.65 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-3-chloro-2-methylpropanamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-3-chloro-2-methylpropanamide
PubChem CID62728851
Molecular FormulaC7H13ClN2O2
Molecular Weight192.65 g/mol
Exact Mass192.07
IUPAC NameN-(3-amino-3-oxopropyl)-3-chloro-2-methylpropanamide
SMILESCC(CCl)C(=O)NCCC(N)=O
InChIInChI=1S/C7H13ClN2O2/c1-5(4-8)7(12)10-3-2-6(9)11/h5H,2-4H2,1H3,(H2,9,11)(H,10,12)
InChIKeyQPMCQTUSMSWMFJ-UHFFFAOYSA-N
XLogP-0.15
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.65
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2-methyl-N-(3-methylbutyl)propanamide
CID 62726569
3-chloro-N-[3-(diethylamino)-3-oxopropyl]-2-methylpropanamide
CID 62728135
2-amino-N-(3-amino-3-oxopropyl)butanamide
CID 43649631
(2R)-2-amino-N-(3-amino-3-oxopropyl)-3-methylbutanamide
CID 79011495
3-chloro-N-[3-(dimethylamino)propyl]-2-methylpropanamide
CID 62729377
3-chloro-N-[2-(methanesulfonamido)ethyl]-2-methylpropanamide
CID 62728659
2-[(3-amino-3-oxopropyl)amino]-N-(2-methylpropyl)propanamide
CID 43553515
3-chloro-2-methyl-N-(3-methylsulfonylpropyl)propanamide
CID 62726649
3-chloro-N-[2-(2-methoxyethoxy)ethyl]-2-methylpropanamide
CID 62726665
3-chloro-2-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 62729229
3-(propan-2-ylamino)propanamide
CID 18768059
3-chloro-N-[2-(ethylsulfamoyl)ethyl]-2-methylpropanamide
CID 106335463

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-3-chloro-2-methylpropanamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-3-chloro-2-methylpropanamide (CID 62728851) is N-(3-amino-3-oxopropyl)-3-chloro-2-methylpropanamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-3-chloro-2-methylpropanamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-3-chloro-2-methylpropanamide is CC(CCl)C(=O)NCCC(N)=O.
What is the InChIKey of N-(3-amino-3-oxopropyl)-3-chloro-2-methylpropanamide?
The InChIKey is QPMCQTUSMSWMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClN2O2/c1-5(4-8)7(12)10-3-2-6(9)11/h5H,2-4H2,1H3,(H2,9,11)(H,10,12).
What are the key properties of N-(3-amino-3-oxopropyl)-3-chloro-2-methylpropanamide?
N-(3-amino-3-oxopropyl)-3-chloro-2-methylpropanamide has a molecular weight of 192.65 g/mol, XLogP of -0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-3-chloro-2-methylpropanamide is sourced from PubChem (CID 62728851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).