N-[2-(carbamoylamino)ethyl]-2,3,3-trimethylbutanamide;ethane

C12H27N3O2 — CID 143855257

IUPACN-[2-(carbamoylamino)ethyl]-2,3,3-trimethylbutanamide;ethane
SMILESCC.CC(C(=O)NCCNC(N)=O)C(C)(C)C
InChIInChI=1S/C10H21N3O2.C2H6/c1-7(10(2,3)4)8(14)12-5-6-13-9(11)15;1-2/h7H,5-6H2,1-4H3,(H,12,14)(H3,11,13,15);1-2H3
InChIKeyNWIZOALJSCUHKD-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.48
Rot. Bonds4

About N-[2-(carbamoylamino)ethyl]-2,3,3-trimethylbutanamide;ethane

N-[2-(carbamoylamino)ethyl]-2,3,3-trimethylbutanamide;ethane (PubChem CID 143855257) has the molecular formula C12H27N3O2 and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[2-(carbamoylamino)ethyl]-2,3,3-trimethylbutanamide;ethane.

Molecular Properties

Compound NameN-[2-(carbamoylamino)ethyl]-2,3,3-trimethylbutanamide;ethane
PubChem CID143855257
Molecular FormulaC12H27N3O2
Molecular Weight245.37 g/mol
Exact Mass245.21
IUPAC NameN-[2-(carbamoylamino)ethyl]-2,3,3-trimethylbutanamide;ethane
SMILESCC.CC(C(=O)NCCNC(N)=O)C(C)(C)C
InChIInChI=1S/C10H21N3O2.C2H6/c1-7(10(2,3)4)8(14)12-5-6-13-9(11)15;1-2/h7H,5-6H2,1-4H3,(H,12,14)(H3,11,13,15);1-2H3
InChIKeyNWIZOALJSCUHKD-UHFFFAOYSA-N
XLogP1.48
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;(2S)-2,3,3-trimethyl-N-propylbutanamide
CID 143641888
N-(2-amino-2-oxoethyl)-2,3,3-trimethylbutanamide
CID 143641947
(2S)-N-(2-hydroxyethyl)-2,3,3-trimethylbutanamide
CID 143641934
propane;2,3,3-trimethyl-N-propylbutanamide
CID 143577775
N-[2-(carbamoylamino)ethyl]-N,2,3,3-tetramethylbutanamide
CID 143855436
benzene;ethane;N-ethyl-2,3,3-trimethylbutanamide
CID 143855700
(2S)-2-[2-(carbamoylamino)ethylamino]-3,3-dimethylbutanamide;hydrochloride
CID 87213115
N-[2-(carbamoylamino)ethyl]-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 83112952
(2R)-2-[2-(carbamoylamino)ethylcarbamoylamino]-3,3-dimethylbutanoic acid
CID 103928257
1-[2-(carbamoylamino)ethyl]-3-propan-2-ylurea
CID 116657505
ethane;2-hydroxyethylurea
CID 144763401
N-[[(1R,3S)-3-aminocyclopentyl]methyl]-2,3,3-trimethylbutanamide
CID 165448067

Frequently Asked Questions

What is the IUPAC name of N-[2-(carbamoylamino)ethyl]-2,3,3-trimethylbutanamide;ethane?
The IUPAC name of N-[2-(carbamoylamino)ethyl]-2,3,3-trimethylbutanamide;ethane (CID 143855257) is N-[2-(carbamoylamino)ethyl]-2,3,3-trimethylbutanamide;ethane.
What is the SMILES notation for N-[2-(carbamoylamino)ethyl]-2,3,3-trimethylbutanamide;ethane?
The canonical SMILES for N-[2-(carbamoylamino)ethyl]-2,3,3-trimethylbutanamide;ethane is CC.CC(C(=O)NCCNC(N)=O)C(C)(C)C.
What is the InChIKey of N-[2-(carbamoylamino)ethyl]-2,3,3-trimethylbutanamide;ethane?
The InChIKey is NWIZOALJSCUHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2.C2H6/c1-7(10(2,3)4)8(14)12-5-6-13-9(11)15;1-2/h7H,5-6H2,1-4H3,(H,12,14)(H3,11,13,15);1-2H3.
What are the key properties of N-[2-(carbamoylamino)ethyl]-2,3,3-trimethylbutanamide;ethane?
N-[2-(carbamoylamino)ethyl]-2,3,3-trimethylbutanamide;ethane has a molecular weight of 245.37 g/mol, XLogP of 1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(carbamoylamino)ethyl]-2,3,3-trimethylbutanamide;ethane is sourced from PubChem (CID 143855257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).