N,N-dimethyl-3-(propan-2-ylcarbamoylamino)propanamide

C9H19N3O2 — CID 47236175

IUPACN,N-dimethyl-3-(propan-2-ylcarbamoylamino)propanamide
SMILESCC(C)NC(=O)NCCC(=O)N(C)C
InChIInChI=1S/C9H19N3O2/c1-7(2)11-9(14)10-6-5-8(13)12(3)4/h7H,5-6H2,1-4H3,(H2,10,11,14)
InChIKeyHOYJLMOPVRXIKH-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.17
Rot. Bonds4

About N,N-dimethyl-3-(propan-2-ylcarbamoylamino)propanamide

N,N-dimethyl-3-(propan-2-ylcarbamoylamino)propanamide (PubChem CID 47236175) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is N,N-dimethyl-3-(propan-2-ylcarbamoylamino)propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(propan-2-ylcarbamoylamino)propanamide
PubChem CID47236175
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC NameN,N-dimethyl-3-(propan-2-ylcarbamoylamino)propanamide
SMILESCC(C)NC(=O)NCCC(=O)N(C)C
InChIInChI=1S/C9H19N3O2/c1-7(2)11-9(14)10-6-5-8(13)12(3)4/h7H,5-6H2,1-4H3,(H2,10,11,14)
InChIKeyHOYJLMOPVRXIKH-UHFFFAOYSA-N
XLogP0.17
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(propan-2-ylcarbamoylamino)propanamide?
The IUPAC name of N,N-dimethyl-3-(propan-2-ylcarbamoylamino)propanamide (CID 47236175) is N,N-dimethyl-3-(propan-2-ylcarbamoylamino)propanamide.
What is the SMILES notation for N,N-dimethyl-3-(propan-2-ylcarbamoylamino)propanamide?
The canonical SMILES for N,N-dimethyl-3-(propan-2-ylcarbamoylamino)propanamide is CC(C)NC(=O)NCCC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-3-(propan-2-ylcarbamoylamino)propanamide?
The InChIKey is HOYJLMOPVRXIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-7(2)11-9(14)10-6-5-8(13)12(3)4/h7H,5-6H2,1-4H3,(H2,10,11,14).
What are the key properties of N,N-dimethyl-3-(propan-2-ylcarbamoylamino)propanamide?
N,N-dimethyl-3-(propan-2-ylcarbamoylamino)propanamide has a molecular weight of 201.27 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(propan-2-ylcarbamoylamino)propanamide is sourced from PubChem (CID 47236175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).