N-[3-[(2-hydroxy-4-methylpentyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide

C14H28N2O3 — CID 103771590

IUPACN-[3-[(2-hydroxy-4-methylpentyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide
SMILESCC(C)CC(O)CNC(=O)CCNC(=O)C(C)(C)C
InChIInChI=1S/C14H28N2O3/c1-10(2)8-11(17)9-16-12(18)6-7-15-13(19)14(3,4)5/h10-11,17H,6-9H2,1-5H3,(H,15,19)(H,16,18)
InChIKeyGCCYTJFDCIZSDQ-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.06
Rot. Bonds7

About N-[3-[(2-hydroxy-4-methylpentyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide

N-[3-[(2-hydroxy-4-methylpentyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide (PubChem CID 103771590) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[3-[(2-hydroxy-4-methylpentyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[(2-hydroxy-4-methylpentyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide
PubChem CID103771590
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC NameN-[3-[(2-hydroxy-4-methylpentyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide
SMILESCC(C)CC(O)CNC(=O)CCNC(=O)C(C)(C)C
InChIInChI=1S/C14H28N2O3/c1-10(2)8-11(17)9-16-12(18)6-7-15-13(19)14(3,4)5/h10-11,17H,6-9H2,1-5H3,(H,15,19)(H,16,18)
InChIKeyGCCYTJFDCIZSDQ-UHFFFAOYSA-N
XLogP1.06
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-N-(2-hydroxy-4-methylpentyl)pentanamide
CID 107159465
5-[3-(2,2-dimethylpropanoylamino)propanoylamino]-4-methylpentanoic acid
CID 82010370
N-[3-[(2-hydroxy-4-methylpentyl)amino]-3-oxopropyl]cyclopentanecarboxamide
CID 103771616
N-[3-[(3-hydroxy-2-methylbutan-2-yl)amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 115884650
6-[(2-hydroxy-4-methylpentyl)amino]-6-oxohexanoic acid
CID 107151219
5-[(2-hydroxy-4-methylpentyl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 107151222
3-[[3-(2,2-dimethylpropanoylamino)propanoylamino]methyl]pentanoic acid
CID 81065507
N-[3-(2-aminoethylamino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 119382533
N-(2-hydroxy-4-methylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103770915
2-(ethylamino)-N-(2-hydroxy-4-methylpentyl)-2-methylpropanamide
CID 107152947
N-(2-hydroxy-4-methylpentyl)-2-propan-2-ylsulfanylacetamide
CID 103771239
6-(2,2-dimethylpropanoylamino)-3,5-dihydroxyhexanoic acid
CID 123706395

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-hydroxy-4-methylpentyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[(2-hydroxy-4-methylpentyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide (CID 103771590) is N-[3-[(2-hydroxy-4-methylpentyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[(2-hydroxy-4-methylpentyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[(2-hydroxy-4-methylpentyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide is CC(C)CC(O)CNC(=O)CCNC(=O)C(C)(C)C.
What is the InChIKey of N-[3-[(2-hydroxy-4-methylpentyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide?
The InChIKey is GCCYTJFDCIZSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-10(2)8-11(17)9-16-12(18)6-7-15-13(19)14(3,4)5/h10-11,17H,6-9H2,1-5H3,(H,15,19)(H,16,18).
What are the key properties of N-[3-[(2-hydroxy-4-methylpentyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide?
N-[3-[(2-hydroxy-4-methylpentyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide has a molecular weight of 272.39 g/mol, XLogP of 1.06, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-hydroxy-4-methylpentyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 103771590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).