N,N'-bis[(3R)-2-hydroxy-2,4-dimethylpentan-3-yl]propanediamide

C17H34N2O4 — CID 87653467

IUPACN,N'-bis[(3R)-2-hydroxy-2,4-dimethylpentan-3-yl]propanediamide
SMILESCC(C)[C@@H](NC(=O)CC(=O)N[C@H](C(C)C)C(C)(C)O)C(C)(C)O
InChIInChI=1S/C17H34N2O4/c1-10(2)14(16(5,6)22)18-12(20)9-13(21)19-15(11(3)4)17(7,8)23/h10-11,14-15,22-23H,9H2,1-8H3,(H,18,20)(H,19,21)/t14-,15-/m1/s1
InChIKeyMMZCSYCELORDIW-HUUCEWRRSA-N
MW330.47 g/mol
LogP1.20
Rot. Bonds8

About N,N'-bis[(3R)-2-hydroxy-2,4-dimethylpentan-3-yl]propanediamide

N,N'-bis[(3R)-2-hydroxy-2,4-dimethylpentan-3-yl]propanediamide (PubChem CID 87653467) has the molecular formula C17H34N2O4 and a molecular weight of 330.47 g/mol. Its IUPAC name is N,N'-bis[(3R)-2-hydroxy-2,4-dimethylpentan-3-yl]propanediamide.

Molecular Properties

Compound NameN,N'-bis[(3R)-2-hydroxy-2,4-dimethylpentan-3-yl]propanediamide
PubChem CID87653467
Molecular FormulaC17H34N2O4
Molecular Weight330.47 g/mol
Exact Mass330.25
IUPAC NameN,N'-bis[(3R)-2-hydroxy-2,4-dimethylpentan-3-yl]propanediamide
SMILESCC(C)[C@@H](NC(=O)CC(=O)N[C@H](C(C)C)C(C)(C)O)C(C)(C)O
InChIInChI=1S/C17H34N2O4/c1-10(2)14(16(5,6)22)18-12(20)9-13(21)19-15(11(3)4)17(7,8)23/h10-11,14-15,22-23H,9H2,1-8H3,(H,18,20)(H,19,21)/t14-,15-/m1/s1
InChIKeyMMZCSYCELORDIW-HUUCEWRRSA-N
XLogP1.20
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 51.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[(3R)-4-ethyl-4-hydroxy-2-methylhexan-3-yl]propanediamide
CID 87654322
N,N'-bis[(3R)-4-hydroxy-2-methyl-4-propylheptan-3-yl]propanediamide
CID 87652824
4-[[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]carbamoylamino]butanoic acid
CID 122022670
[(2R)-3-hydroxy-3-methylbutan-2-yl]carbamic acid
CID 129021869
[(2S)-3-hydroxy-3-methylbutan-2-yl]carbamic acid
CID 151056866
[(2S)-1,3-dihydroxy-3-methylbutan-2-yl]carbamic acid
CID 87853068
2-amino-N-(3,3-dimethylbutan-2-yl)acetamide
CID 115733734
(3R)-4,4,4-trifluoro-3-hydroxy-3-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 8865880
N-(2,2,4-trimethylpentan-3-yl)prop-2-enamide
CID 23505015
N,N'-bis[(1R)-1-(1-hydroxycyclobutyl)-2,2-dimethylpropyl]propanediamide
CID 69007042
methyl (3R)-4-methyl-3-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoyl]amino]pentanoate
CID 102173101
N-(2,5,5-trimethyl-4-oxohexan-3-yl)propanamide
CID 126543294

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(3R)-2-hydroxy-2,4-dimethylpentan-3-yl]propanediamide?
The IUPAC name of N,N'-bis[(3R)-2-hydroxy-2,4-dimethylpentan-3-yl]propanediamide (CID 87653467) is N,N'-bis[(3R)-2-hydroxy-2,4-dimethylpentan-3-yl]propanediamide.
What is the SMILES notation for N,N'-bis[(3R)-2-hydroxy-2,4-dimethylpentan-3-yl]propanediamide?
The canonical SMILES for N,N'-bis[(3R)-2-hydroxy-2,4-dimethylpentan-3-yl]propanediamide is CC(C)[C@@H](NC(=O)CC(=O)N[C@H](C(C)C)C(C)(C)O)C(C)(C)O.
What is the InChIKey of N,N'-bis[(3R)-2-hydroxy-2,4-dimethylpentan-3-yl]propanediamide?
The InChIKey is MMZCSYCELORDIW-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H34N2O4/c1-10(2)14(16(5,6)22)18-12(20)9-13(21)19-15(11(3)4)17(7,8)23/h10-11,14-15,22-23H,9H2,1-8H3,(H,18,20)(H,19,21)/t14-,15-/m1/s1.
What are the key properties of N,N'-bis[(3R)-2-hydroxy-2,4-dimethylpentan-3-yl]propanediamide?
N,N'-bis[(3R)-2-hydroxy-2,4-dimethylpentan-3-yl]propanediamide has a molecular weight of 330.47 g/mol, XLogP of 1.20, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(3R)-2-hydroxy-2,4-dimethylpentan-3-yl]propanediamide is sourced from PubChem (CID 87653467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).