N-[2-hydroxy-3-(2-methylpropoxy)propyl]-N',N'-dipropylbutanediamide

C17H34N2O4 — CID 138043880

IUPACN-[2-hydroxy-3-(2-methylpropoxy)propyl]-N',N'-dipropylbutanediamide
SMILESCCCN(CCC)C(=O)CCC(=O)NCC(O)COCC(C)C
InChIInChI=1S/C17H34N2O4/c1-5-9-19(10-6-2)17(22)8-7-16(21)18-11-15(20)13-23-12-14(3)4/h14-15,20H,5-13H2,1-4H3,(H,18,21)
InChIKeyUAFFNIPQLPRZBP-UHFFFAOYSA-N
MW330.47 g/mol
LogP1.56
Rot. Bonds13

About N-[2-hydroxy-3-(2-methylpropoxy)propyl]-N',N'-dipropylbutanediamide

N-[2-hydroxy-3-(2-methylpropoxy)propyl]-N',N'-dipropylbutanediamide (PubChem CID 138043880) has the molecular formula C17H34N2O4 and a molecular weight of 330.47 g/mol. Its IUPAC name is N-[2-hydroxy-3-(2-methylpropoxy)propyl]-N',N'-dipropylbutanediamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(2-methylpropoxy)propyl]-N',N'-dipropylbutanediamide
PubChem CID138043880
Molecular FormulaC17H34N2O4
Molecular Weight330.47 g/mol
Exact Mass330.25
IUPAC NameN-[2-hydroxy-3-(2-methylpropoxy)propyl]-N',N'-dipropylbutanediamide
SMILESCCCN(CCC)C(=O)CCC(=O)NCC(O)COCC(C)C
InChIInChI=1S/C17H34N2O4/c1-5-9-19(10-6-2)17(22)8-7-16(21)18-11-15(20)13-23-12-14(3)4/h14-15,20H,5-13H2,1-4H3,(H,18,21)
InChIKeyUAFFNIPQLPRZBP-UHFFFAOYSA-N
XLogP1.56
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N'-bis[3-[3-[3-[3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropyl]butanediamide;ethane
CID 171850537
N-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]-N',N'-dipropylpentanediamide
CID 56552786
(2S)-3-[[5-(dipropylamino)-5-oxopentanoyl]amino]-2-methylpropanoic acid
CID 97234402
N-(2-aminoethyl)-N',N'-dipropylbutanediamide;hydrochloride
CID 119382280
N-(2-hydroxy-3-methoxypropyl)butanamide
CID 20700886
1-(methoxyamino)-3-(2-methylpropoxy)propan-2-ol
CID 60702508
N-(3-methylbutyl)-N',N'-bis(2-tetradecoxyethyl)butanediamide
CID 176573211
1-(2-methylbutylamino)-3-(2-methylpropoxy)propan-2-ol
CID 62692862
2-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]oxyacetamide
CID 112673777
1-cyclopropyl-3-[2-hydroxy-3-(2-methylpropoxy)propyl]urea
CID 55767176
N-[(2R)-2-hydroxypropyl]-3-propoxypropanamide
CID 83060047
4-(2-methylpropoxy)-N-(2-methylpropyl)butanamide
CID 177120223

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(2-methylpropoxy)propyl]-N',N'-dipropylbutanediamide?
The IUPAC name of N-[2-hydroxy-3-(2-methylpropoxy)propyl]-N',N'-dipropylbutanediamide (CID 138043880) is N-[2-hydroxy-3-(2-methylpropoxy)propyl]-N',N'-dipropylbutanediamide.
What is the SMILES notation for N-[2-hydroxy-3-(2-methylpropoxy)propyl]-N',N'-dipropylbutanediamide?
The canonical SMILES for N-[2-hydroxy-3-(2-methylpropoxy)propyl]-N',N'-dipropylbutanediamide is CCCN(CCC)C(=O)CCC(=O)NCC(O)COCC(C)C.
What is the InChIKey of N-[2-hydroxy-3-(2-methylpropoxy)propyl]-N',N'-dipropylbutanediamide?
The InChIKey is UAFFNIPQLPRZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O4/c1-5-9-19(10-6-2)17(22)8-7-16(21)18-11-15(20)13-23-12-14(3)4/h14-15,20H,5-13H2,1-4H3,(H,18,21).
What are the key properties of N-[2-hydroxy-3-(2-methylpropoxy)propyl]-N',N'-dipropylbutanediamide?
N-[2-hydroxy-3-(2-methylpropoxy)propyl]-N',N'-dipropylbutanediamide has a molecular weight of 330.47 g/mol, XLogP of 1.56, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(2-methylpropoxy)propyl]-N',N'-dipropylbutanediamide is sourced from PubChem (CID 138043880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).