N-(2-formamidoethyl)-4-hydroxy-3,3-dimethylbutanamide

C9H18N2O3 — CID 137383416

IUPACN-(2-formamidoethyl)-4-hydroxy-3,3-dimethylbutanamide
SMILESCC(C)(CO)CC(=O)NCCNC=O
InChIInChI=1S/C9H18N2O3/c1-9(2,6-12)5-8(14)11-4-3-10-7-13/h7,12H,3-6H2,1-2H3,(H,10,13)(H,11,14)
InChIKeyNGTBXPAQKYTNSN-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.74
Rot. Bonds7

About N-(2-formamidoethyl)-4-hydroxy-3,3-dimethylbutanamide

N-(2-formamidoethyl)-4-hydroxy-3,3-dimethylbutanamide (PubChem CID 137383416) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is N-(2-formamidoethyl)-4-hydroxy-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(2-formamidoethyl)-4-hydroxy-3,3-dimethylbutanamide
PubChem CID137383416
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC NameN-(2-formamidoethyl)-4-hydroxy-3,3-dimethylbutanamide
SMILESCC(C)(CO)CC(=O)NCCNC=O
InChIInChI=1S/C9H18N2O3/c1-9(2,6-12)5-8(14)11-4-3-10-7-13/h7,12H,3-6H2,1-2H3,(H,10,13)(H,11,14)
InChIKeyNGTBXPAQKYTNSN-UHFFFAOYSA-N
XLogP-0.74
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-formamidoethyl)-4-hydroxy-3,3-dimethylbutanamide?
The IUPAC name of N-(2-formamidoethyl)-4-hydroxy-3,3-dimethylbutanamide (CID 137383416) is N-(2-formamidoethyl)-4-hydroxy-3,3-dimethylbutanamide.
What is the SMILES notation for N-(2-formamidoethyl)-4-hydroxy-3,3-dimethylbutanamide?
The canonical SMILES for N-(2-formamidoethyl)-4-hydroxy-3,3-dimethylbutanamide is CC(C)(CO)CC(=O)NCCNC=O.
What is the InChIKey of N-(2-formamidoethyl)-4-hydroxy-3,3-dimethylbutanamide?
The InChIKey is NGTBXPAQKYTNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-9(2,6-12)5-8(14)11-4-3-10-7-13/h7,12H,3-6H2,1-2H3,(H,10,13)(H,11,14).
What are the key properties of N-(2-formamidoethyl)-4-hydroxy-3,3-dimethylbutanamide?
N-(2-formamidoethyl)-4-hydroxy-3,3-dimethylbutanamide has a molecular weight of 202.25 g/mol, XLogP of -0.74, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-formamidoethyl)-4-hydroxy-3,3-dimethylbutanamide is sourced from PubChem (CID 137383416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).