2-(carbamoylamino)-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]butanamide

C12H23N3O3 — CID 113258390

IUPAC2-(carbamoylamino)-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]butanamide
SMILESC=C(C)COCCNC(=O)C(NC(N)=O)C(C)C
InChIInChI=1S/C12H23N3O3/c1-8(2)7-18-6-5-14-11(16)10(9(3)4)15-12(13)17/h9-10H,1,5-7H2,2-4H3,(H,14,16)(H3,13,15,17)
InChIKeyAVJMVLWPMXYELN-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.39
Rot. Bonds8

About 2-(carbamoylamino)-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]butanamide

2-(carbamoylamino)-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]butanamide (PubChem CID 113258390) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-(carbamoylamino)-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]butanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]butanamide
PubChem CID113258390
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name2-(carbamoylamino)-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]butanamide
SMILESC=C(C)COCCNC(=O)C(NC(N)=O)C(C)C
InChIInChI=1S/C12H23N3O3/c1-8(2)7-18-6-5-14-11(16)10(9(3)4)15-12(13)17/h9-10H,1,5-7H2,2-4H3,(H,14,16)(H3,13,15,17)
InChIKeyAVJMVLWPMXYELN-UHFFFAOYSA-N
XLogP0.39
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-3,3-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]butanamide
CID 104929441
(2S,3S)-2-amino-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pentanamide
CID 104929437
(2R)-2-(carbamoylamino)-3-methyl-N-(3-methylbutyl)butanamide
CID 35138595
N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 115700214
2-(carbamoylamino)-3-methyl-N-prop-2-enylbutanamide
CID 60636446
2-(carbamoylamino)-N-(4-hydroxybutyl)-3-methylbutanamide
CID 106843387
N-[2-(2-methylprop-2-enoxy)ethyl]-2-propylpentanamide
CID 115761081
(2S)-2-(carbamoylamino)-N-[2-(4-chlorophenoxy)ethyl]-3-methylbutanamide
CID 9297518
2-(aminomethyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-methylbutanamide
CID 106235067
4-hydroxy-N-[2-(2-methylprop-2-enoxy)ethyl]pentanamide
CID 114469554
2-(carbamoylamino)-N-(1,3-dihydroxypropan-2-yl)-3-methylbutanamide
CID 65312871
3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 114467833

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]butanamide?
The IUPAC name of 2-(carbamoylamino)-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]butanamide (CID 113258390) is 2-(carbamoylamino)-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]butanamide.
What is the SMILES notation for 2-(carbamoylamino)-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]butanamide?
The canonical SMILES for 2-(carbamoylamino)-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]butanamide is C=C(C)COCCNC(=O)C(NC(N)=O)C(C)C.
What is the InChIKey of 2-(carbamoylamino)-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]butanamide?
The InChIKey is AVJMVLWPMXYELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-8(2)7-18-6-5-14-11(16)10(9(3)4)15-12(13)17/h9-10H,1,5-7H2,2-4H3,(H,14,16)(H3,13,15,17).
What are the key properties of 2-(carbamoylamino)-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]butanamide?
2-(carbamoylamino)-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]butanamide has a molecular weight of 257.33 g/mol, XLogP of 0.39, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]butanamide is sourced from PubChem (CID 113258390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).