2-(carbamoylamino)-N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide

C12H25N3O3 — CID 79387560

IUPAC2-(carbamoylamino)-N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide
SMILESCCN(CC(C)(C)O)C(=O)C(NC(N)=O)C(C)C
InChIInChI=1S/C12H25N3O3/c1-6-15(7-12(4,5)18)10(16)9(8(2)3)14-11(13)17/h8-9,18H,6-7H2,1-5H3,(H3,13,14,17)
InChIKeyIIYDGGVYNAJVKO-UHFFFAOYSA-N
MW259.35 g/mol
LogP0.30
Rot. Bonds6

About 2-(carbamoylamino)-N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide

2-(carbamoylamino)-N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide (PubChem CID 79387560) has the molecular formula C12H25N3O3 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide
PubChem CID79387560
Molecular FormulaC12H25N3O3
Molecular Weight259.35 g/mol
Exact Mass259.19
IUPAC Name2-(carbamoylamino)-N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide
SMILESCCN(CC(C)(C)O)C(=O)C(NC(N)=O)C(C)C
InChIInChI=1S/C12H25N3O3/c1-6-15(7-12(4,5)18)10(16)9(8(2)3)14-11(13)17/h8-9,18H,6-7H2,1-5H3,(H3,13,14,17)
InChIKeyIIYDGGVYNAJVKO-UHFFFAOYSA-N
XLogP0.30
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(carbamoylamino)-N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(aminomethyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide
CID 79389818
methyl 3-[[2-(carbamoylamino)-3-methylbutanoyl]-ethylamino]propanoate
CID 54898842
2-acetamido-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide
CID 79382095
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(methylamino)propanamide
CID 79378283
N-ethyl-2-ethylsulfanyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide
CID 111596787
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-sulfanylpropanamide
CID 107032116
2-acetamido-N,N-diethyl-3-methylbutanamide
CID 60635909
3-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylpropanamide
CID 79389720
(2R)-2-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)pentanamide
CID 107570081
(2S)-2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]-3-methylpentanoic acid
CID 79386398
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide
CID 79387562
ethyl 2-[[2-(carbamoylamino)-3-methylbutanoyl]-propan-2-ylamino]acetate
CID 61021307

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide?
The IUPAC name of 2-(carbamoylamino)-N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide (CID 79387560) is 2-(carbamoylamino)-N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide?
The canonical SMILES for 2-(carbamoylamino)-N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide is CCN(CC(C)(C)O)C(=O)C(NC(N)=O)C(C)C.
What is the InChIKey of 2-(carbamoylamino)-N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide?
The InChIKey is IIYDGGVYNAJVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3/c1-6-15(7-12(4,5)18)10(16)9(8(2)3)14-11(13)17/h8-9,18H,6-7H2,1-5H3,(H3,13,14,17).
What are the key properties of 2-(carbamoylamino)-N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide?
2-(carbamoylamino)-N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide has a molecular weight of 259.35 g/mol, XLogP of 0.30, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide is sourced from PubChem (CID 79387560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).