N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4,4-dimethyl-2-propan-2-ylpentanamide

C14H29NO4 — CID 118545041

IUPACN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4,4-dimethyl-2-propan-2-ylpentanamide
SMILESCC(C)C(CC(C)(C)C)C(=O)NC(CO)(CO)CO
InChIInChI=1S/C14H29NO4/c1-10(2)11(6-13(3,4)5)12(19)15-14(7-16,8-17)9-18/h10-11,16-18H,6-9H2,1-5H3,(H,15,19)
InChIKeyWVIQCYVZFMAOFB-UHFFFAOYSA-N
MW275.39 g/mol
LogP0.53
Rot. Bonds7

About N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4,4-dimethyl-2-propan-2-ylpentanamide

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4,4-dimethyl-2-propan-2-ylpentanamide (PubChem CID 118545041) has the molecular formula C14H29NO4 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4,4-dimethyl-2-propan-2-ylpentanamide.

Molecular Properties

Compound NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4,4-dimethyl-2-propan-2-ylpentanamide
PubChem CID118545041
Molecular FormulaC14H29NO4
Molecular Weight275.39 g/mol
Exact Mass275.21
IUPAC NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4,4-dimethyl-2-propan-2-ylpentanamide
SMILESCC(C)C(CC(C)(C)C)C(=O)NC(CO)(CO)CO
InChIInChI=1S/C14H29NO4/c1-10(2)11(6-13(3,4)5)12(19)15-14(7-16,8-17)9-18/h10-11,16-18H,6-9H2,1-5H3,(H,15,19)
InChIKeyWVIQCYVZFMAOFB-UHFFFAOYSA-N
XLogP0.53
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 50.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylpentanamide
CID 107852753
2-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-methylbutanamide
CID 107852750
(2R,3R)-N,N'-bis[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,3-dihydroxybutanediamide
CID 54556382
2-acetamido-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-methylbutanamide
CID 114010724
(2R)-2-amino-N-[3-(hydroxymethyl)pentan-3-yl]-3,3-dimethylbutanamide
CID 103929829
2-chloro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide
CID 107865103
2-bromo-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide
CID 107906051
2-(azetidin-3-yl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide
CID 107852972
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methoxypropanamide
CID 103891013
N-(5-hydroxynaphthalen-1-yl)-4,4-dimethyl-2-propan-2-ylpentanamide
CID 135192580
(2S)-2-amino-N-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]-3-methylbutanamide
CID 107852819
2-(carbamoylamino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylpentanamide
CID 107847321

Frequently Asked Questions

What is the IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4,4-dimethyl-2-propan-2-ylpentanamide?
The IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4,4-dimethyl-2-propan-2-ylpentanamide (CID 118545041) is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4,4-dimethyl-2-propan-2-ylpentanamide.
What is the SMILES notation for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4,4-dimethyl-2-propan-2-ylpentanamide?
The canonical SMILES for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4,4-dimethyl-2-propan-2-ylpentanamide is CC(C)C(CC(C)(C)C)C(=O)NC(CO)(CO)CO.
What is the InChIKey of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4,4-dimethyl-2-propan-2-ylpentanamide?
The InChIKey is WVIQCYVZFMAOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO4/c1-10(2)11(6-13(3,4)5)12(19)15-14(7-16,8-17)9-18/h10-11,16-18H,6-9H2,1-5H3,(H,15,19).
What are the key properties of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4,4-dimethyl-2-propan-2-ylpentanamide?
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4,4-dimethyl-2-propan-2-ylpentanamide has a molecular weight of 275.39 g/mol, XLogP of 0.53, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4,4-dimethyl-2-propan-2-ylpentanamide is sourced from PubChem (CID 118545041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).