N-propyl-2-(2,4,4-trimethylpentan-2-ylamino)acetamide

C13H28N2O — CID 60975442

IUPACN-propyl-2-(2,4,4-trimethylpentan-2-ylamino)acetamide
SMILESCCCNC(=O)CNC(C)(C)CC(C)(C)C
InChIInChI=1S/C13H28N2O/c1-7-8-14-11(16)9-15-13(5,6)10-12(2,3)4/h15H,7-10H2,1-6H3,(H,14,16)
InChIKeyWALZXIDASPZHJP-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.32
Rot. Bonds6

About N-propyl-2-(2,4,4-trimethylpentan-2-ylamino)acetamide

N-propyl-2-(2,4,4-trimethylpentan-2-ylamino)acetamide (PubChem CID 60975442) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-propyl-2-(2,4,4-trimethylpentan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-propyl-2-(2,4,4-trimethylpentan-2-ylamino)acetamide
PubChem CID60975442
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-propyl-2-(2,4,4-trimethylpentan-2-ylamino)acetamide
SMILESCCCNC(=O)CNC(C)(C)CC(C)(C)C
InChIInChI=1S/C13H28N2O/c1-7-8-14-11(16)9-15-13(5,6)10-12(2,3)4/h15H,7-10H2,1-6H3,(H,14,16)
InChIKeyWALZXIDASPZHJP-UHFFFAOYSA-N
XLogP2.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(tert-butylamino)-N-propylacetamide
CID 28586578
3-(tert-butylamino)-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 60850956
2,2,4,4-tetramethyl-N-propylpentanamide
CID 144742473
2-amino-2-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 61264989
N-propyl-2-(propylcarbamoylamino)acetamide
CID 115571904
1-propyl-3-(2,4,4-trimethylpentan-2-yl)thiourea
CID 17276889
2-amino-2-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide;hydrochloride
CID 119271446
2-methyl-2-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]propanoic acid
CID 61267137
tert-butyl N-[2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]carbamate
CID 112688730
2-[(2-ethoxy-2-methylpropyl)amino]-N-propylacetamide
CID 114941785
N-butyl-2-(2,2-dimethylpropylamino)acetamide
CID 61485526
N-butyl-2-(2-cyclopropylpropan-2-ylamino)acetamide
CID 103950002

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-(2,4,4-trimethylpentan-2-ylamino)acetamide?
The IUPAC name of N-propyl-2-(2,4,4-trimethylpentan-2-ylamino)acetamide (CID 60975442) is N-propyl-2-(2,4,4-trimethylpentan-2-ylamino)acetamide.
What is the SMILES notation for N-propyl-2-(2,4,4-trimethylpentan-2-ylamino)acetamide?
The canonical SMILES for N-propyl-2-(2,4,4-trimethylpentan-2-ylamino)acetamide is CCCNC(=O)CNC(C)(C)CC(C)(C)C.
What is the InChIKey of N-propyl-2-(2,4,4-trimethylpentan-2-ylamino)acetamide?
The InChIKey is WALZXIDASPZHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-7-8-14-11(16)9-15-13(5,6)10-12(2,3)4/h15H,7-10H2,1-6H3,(H,14,16).
What are the key properties of N-propyl-2-(2,4,4-trimethylpentan-2-ylamino)acetamide?
N-propyl-2-(2,4,4-trimethylpentan-2-ylamino)acetamide has a molecular weight of 228.38 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-(2,4,4-trimethylpentan-2-ylamino)acetamide is sourced from PubChem (CID 60975442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).