N-[1-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide

C16H32N2O3 — CID 109380616

IUPACN-[1-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
SMILESCC(NC(=O)C(C)(C)C)C(=O)NCC(C)(C)C(O)C(C)C
InChIInChI=1S/C16H32N2O3/c1-10(2)12(19)16(7,8)9-17-13(20)11(3)18-14(21)15(4,5)6/h10-12,19H,9H2,1-8H3,(H,17,20)(H,18,21)
InChIKeyKTXPUTBSCACWSP-UHFFFAOYSA-N
MW300.44 g/mol
LogP1.70
Rot. Bonds6

About N-[1-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide

N-[1-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide (PubChem CID 109380616) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is N-[1-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
PubChem CID109380616
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC NameN-[1-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
SMILESCC(NC(=O)C(C)(C)C)C(=O)NCC(C)(C)C(O)C(C)C
InChIInChI=1S/C16H32N2O3/c1-10(2)12(19)16(7,8)9-17-13(20)11(3)18-14(21)15(4,5)6/h10-12,19H,9H2,1-8H3,(H,17,20)(H,18,21)
InChIKeyKTXPUTBSCACWSP-UHFFFAOYSA-N
XLogP1.70
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[1-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide with MolForge

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Related Compounds

3-[2-(2,2-dimethylpropanoylamino)propanoylamino]-2,2-dimethylpropanoic acid
CID 81369309
N-[1-[(2-hydroxy-2,3-dimethylbutyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 111484536
2,2-dimethyl-N-[1-[[2-(methylamino)-2-oxoethyl]amino]-1-oxopropan-2-yl]propanamide
CID 43054474
N-[1-(4-hydroxybutylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 106843633
N-[1-(5-hydroxypentylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 107319030
N-[1-(3-aminobutylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride
CID 119498705
1-[(3R)-3-hydroxy-2,2,4-trimethylpentyl]-3-[(2S)-1-methylsulfanylpropan-2-yl]urea
CID 97326673
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 54209319
N-[1-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 111482737
1-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea
CID 109390118
N'-(3-hydroxy-2,2,4-trimethylpentyl)-N-prop-2-ynylpropanediamide
CID 110017612
N-(3-hydroxy-2,2,4-trimethylpentyl)-2-[methyl(propan-2-yl)amino]acetamide
CID 109380805

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide (CID 109380616) is N-[1-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide is CC(NC(=O)C(C)(C)C)C(=O)NCC(C)(C)C(O)C(C)C.
What is the InChIKey of N-[1-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The InChIKey is KTXPUTBSCACWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-10(2)12(19)16(7,8)9-17-13(20)11(3)18-14(21)15(4,5)6/h10-12,19H,9H2,1-8H3,(H,17,20)(H,18,21).
What are the key properties of N-[1-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
N-[1-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide has a molecular weight of 300.44 g/mol, XLogP of 1.70, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 109380616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).