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

C11H23N3O2 — CID 52698269

IUPACN,N-diethyl-3-(propan-2-ylcarbamoylamino)propanamide
SMILESCCN(CC)C(=O)CCNC(=O)NC(C)C
InChIInChI=1S/C11H23N3O2/c1-5-14(6-2)10(15)7-8-12-11(16)13-9(3)4/h9H,5-8H2,1-4H3,(H2,12,13,16)
InChIKeyRQSYBNYWFVVJST-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.95
Rot. Bonds6

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

N,N-diethyl-3-(propan-2-ylcarbamoylamino)propanamide (PubChem CID 52698269) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N,N-diethyl-3-(propan-2-ylcarbamoylamino)propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-(propan-2-ylcarbamoylamino)propanamide
PubChem CID52698269
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN,N-diethyl-3-(propan-2-ylcarbamoylamino)propanamide
SMILESCCN(CC)C(=O)CCNC(=O)NC(C)C
InChIInChI=1S/C11H23N3O2/c1-5-14(6-2)10(15)7-8-12-11(16)13-9(3)4/h9H,5-8H2,1-4H3,(H2,12,13,16)
InChIKeyRQSYBNYWFVVJST-UHFFFAOYSA-N
XLogP0.95
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(propan-2-ylcarbamoylamino)propanamide?
The IUPAC name of N,N-diethyl-3-(propan-2-ylcarbamoylamino)propanamide (CID 52698269) is N,N-diethyl-3-(propan-2-ylcarbamoylamino)propanamide.
What is the SMILES notation for N,N-diethyl-3-(propan-2-ylcarbamoylamino)propanamide?
The canonical SMILES for N,N-diethyl-3-(propan-2-ylcarbamoylamino)propanamide is CCN(CC)C(=O)CCNC(=O)NC(C)C.
What is the InChIKey of N,N-diethyl-3-(propan-2-ylcarbamoylamino)propanamide?
The InChIKey is RQSYBNYWFVVJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-5-14(6-2)10(15)7-8-12-11(16)13-9(3)4/h9H,5-8H2,1-4H3,(H2,12,13,16).
What are the key properties of N,N-diethyl-3-(propan-2-ylcarbamoylamino)propanamide?
N,N-diethyl-3-(propan-2-ylcarbamoylamino)propanamide has a molecular weight of 229.32 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(propan-2-ylcarbamoylamino)propanamide is sourced from PubChem (CID 52698269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).