N,N-diethyl-3-[(1-methylcyclobutyl)carbamoylamino]propanamide

C13H25N3O2 — CID 84590016

IUPACN,N-diethyl-3-[(1-methylcyclobutyl)carbamoylamino]propanamide
SMILESCCN(CC)C(=O)CCNC(=O)NC1(C)CCC1
InChIInChI=1S/C13H25N3O2/c1-4-16(5-2)11(17)7-10-14-12(18)15-13(3)8-6-9-13/h4-10H2,1-3H3,(H2,14,15,18)
InChIKeyVLTXPLSLDUILTD-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.49
Rot. Bonds6

About N,N-diethyl-3-[(1-methylcyclobutyl)carbamoylamino]propanamide

N,N-diethyl-3-[(1-methylcyclobutyl)carbamoylamino]propanamide (PubChem CID 84590016) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N,N-diethyl-3-[(1-methylcyclobutyl)carbamoylamino]propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-[(1-methylcyclobutyl)carbamoylamino]propanamide
PubChem CID84590016
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN,N-diethyl-3-[(1-methylcyclobutyl)carbamoylamino]propanamide
SMILESCCN(CC)C(=O)CCNC(=O)NC1(C)CCC1
InChIInChI=1S/C13H25N3O2/c1-4-16(5-2)11(17)7-10-14-12(18)15-13(3)8-6-9-13/h4-10H2,1-3H3,(H2,14,15,18)
InChIKeyVLTXPLSLDUILTD-UHFFFAOYSA-N
XLogP1.49
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.49
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-[(1-methylcyclobutyl)carbamoylamino]propanamide?
The IUPAC name of N,N-diethyl-3-[(1-methylcyclobutyl)carbamoylamino]propanamide (CID 84590016) is N,N-diethyl-3-[(1-methylcyclobutyl)carbamoylamino]propanamide.
What is the SMILES notation for N,N-diethyl-3-[(1-methylcyclobutyl)carbamoylamino]propanamide?
The canonical SMILES for N,N-diethyl-3-[(1-methylcyclobutyl)carbamoylamino]propanamide is CCN(CC)C(=O)CCNC(=O)NC1(C)CCC1.
What is the InChIKey of N,N-diethyl-3-[(1-methylcyclobutyl)carbamoylamino]propanamide?
The InChIKey is VLTXPLSLDUILTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-4-16(5-2)11(17)7-10-14-12(18)15-13(3)8-6-9-13/h4-10H2,1-3H3,(H2,14,15,18).
What are the key properties of N,N-diethyl-3-[(1-methylcyclobutyl)carbamoylamino]propanamide?
N,N-diethyl-3-[(1-methylcyclobutyl)carbamoylamino]propanamide has a molecular weight of 255.36 g/mol, XLogP of 1.49, 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-[(1-methylcyclobutyl)carbamoylamino]propanamide is sourced from PubChem (CID 84590016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).