(2R)-2-amino-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N,4-dimethylpentanamide

C14H28N2O3 — CID 56875149

IUPAC(2R)-2-amino-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N,4-dimethylpentanamide
SMILESCC(C)C[C@@H](N)C(=O)N(C)CC1(CO)CCOCC1
InChIInChI=1S/C14H28N2O3/c1-11(2)8-12(15)13(18)16(3)9-14(10-17)4-6-19-7-5-14/h11-12,17H,4-10,15H2,1-3H3/t12-/m1/s1
InChIKeyBRPWAVRLRLBSIP-GFCCVEGCSA-N
MW272.39 g/mol
LogP0.61
Rot. Bonds6

About (2R)-2-amino-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N,4-dimethylpentanamide

(2R)-2-amino-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N,4-dimethylpentanamide (PubChem CID 56875149) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is (2R)-2-amino-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N,4-dimethylpentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N,4-dimethylpentanamide
PubChem CID56875149
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name(2R)-2-amino-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N,4-dimethylpentanamide
SMILESCC(C)C[C@@H](N)C(=O)N(C)CC1(CO)CCOCC1
InChIInChI=1S/C14H28N2O3/c1-11(2)8-12(15)13(18)16(3)9-14(10-17)4-6-19-7-5-14/h11-12,17H,4-10,15H2,1-3H3/t12-/m1/s1
InChIKeyBRPWAVRLRLBSIP-GFCCVEGCSA-N
XLogP0.61
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N,4-dimethylpentanamide?
The IUPAC name of (2R)-2-amino-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N,4-dimethylpentanamide (CID 56875149) is (2R)-2-amino-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N,4-dimethylpentanamide.
What is the SMILES notation for (2R)-2-amino-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N,4-dimethylpentanamide?
The canonical SMILES for (2R)-2-amino-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N,4-dimethylpentanamide is CC(C)C[C@@H](N)C(=O)N(C)CC1(CO)CCOCC1.
What is the InChIKey of (2R)-2-amino-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N,4-dimethylpentanamide?
The InChIKey is BRPWAVRLRLBSIP-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-11(2)8-12(15)13(18)16(3)9-14(10-17)4-6-19-7-5-14/h11-12,17H,4-10,15H2,1-3H3/t12-/m1/s1.
What are the key properties of (2R)-2-amino-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N,4-dimethylpentanamide?
(2R)-2-amino-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N,4-dimethylpentanamide has a molecular weight of 272.39 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N,4-dimethylpentanamide is sourced from PubChem (CID 56875149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).