3-amino-N,3-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide

C11H23N3O2 — CID 64685273

IUPAC3-amino-N,3-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
SMILESCC(C)NC(=O)CN(C)C(=O)CC(C)(C)N
InChIInChI=1S/C11H23N3O2/c1-8(2)13-9(15)7-14(5)10(16)6-11(3,4)12/h8H,6-7,12H2,1-5H3,(H,13,15)
InChIKeyUHDKZQRSIPXHMT-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.10
Rot. Bonds5

About 3-amino-N,3-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide

3-amino-N,3-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide (PubChem CID 64685273) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-amino-N,3-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide.

Molecular Properties

Compound Name3-amino-N,3-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
PubChem CID64685273
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name3-amino-N,3-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
SMILESCC(C)NC(=O)CN(C)C(=O)CC(C)(C)N
InChIInChI=1S/C11H23N3O2/c1-8(2)13-9(15)7-14(5)10(16)6-11(3,4)12/h8H,6-7,12H2,1-5H3,(H,13,15)
InChIKeyUHDKZQRSIPXHMT-UHFFFAOYSA-N
XLogP0.10
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 60661823
(2R)-2-amino-N,3,3-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
CID 113353361
2-bromo-N,2-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 114328087
4-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide;hydrochloride
CID 119272108
2-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 60937489
3-chloro-N,2,2-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 63679818
5-hydroxy-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide
CID 79198624
2-[methyl(methylcarbamoyl)amino]-N-propan-2-ylacetamide
CID 115575214
ethane;2-[methyl-[2-[methyl(propyl)amino]acetyl]amino]-N-propan-2-ylacetamide
CID 142388460
2-[1-(aminomethyl)cyclobutyl]-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 81171717
3-amino-N,3-dimethyl-N-(4-methylpentyl)butanamide
CID 115155075
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 86908596

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,3-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide?
The IUPAC name of 3-amino-N,3-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide (CID 64685273) is 3-amino-N,3-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide.
What is the SMILES notation for 3-amino-N,3-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide?
The canonical SMILES for 3-amino-N,3-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide is CC(C)NC(=O)CN(C)C(=O)CC(C)(C)N.
What is the InChIKey of 3-amino-N,3-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide?
The InChIKey is UHDKZQRSIPXHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-8(2)13-9(15)7-14(5)10(16)6-11(3,4)12/h8H,6-7,12H2,1-5H3,(H,13,15).
What are the key properties of 3-amino-N,3-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide?
3-amino-N,3-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide has a molecular weight of 229.32 g/mol, XLogP of 0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,3-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide is sourced from PubChem (CID 64685273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).