N-[3-(dimethylamino)propyl]-2-[(2S,4R)-4-(3-methylbutyl)-2-propan-2-yloxan-4-yl]acetamide

C20H40N2O2 — CID 41130724

IUPACN-[3-(dimethylamino)propyl]-2-[(2S,4R)-4-(3-methylbutyl)-2-propan-2-yloxan-4-yl]acetamide
SMILESCC(C)CC[C@@]1(CC(=O)NCCCN(C)C)CCO[C@H](C(C)C)C1
InChIInChI=1S/C20H40N2O2/c1-16(2)8-9-20(10-13-24-18(14-20)17(3)4)15-19(23)21-11-7-12-22(5)6/h16-18H,7-15H2,1-6H3,(H,21,23)/t18-,20+/m0/s1
InChIKeyYHGRPYNJENYRNB-AZUAARDMSA-N
MW340.55 g/mol
LogP3.70
Rot. Bonds10

About N-[3-(dimethylamino)propyl]-2-[(2S,4R)-4-(3-methylbutyl)-2-propan-2-yloxan-4-yl]acetamide

N-[3-(dimethylamino)propyl]-2-[(2S,4R)-4-(3-methylbutyl)-2-propan-2-yloxan-4-yl]acetamide (PubChem CID 41130724) has the molecular formula C20H40N2O2 and a molecular weight of 340.55 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-[(2S,4R)-4-(3-methylbutyl)-2-propan-2-yloxan-4-yl]acetamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-[(2S,4R)-4-(3-methylbutyl)-2-propan-2-yloxan-4-yl]acetamide
PubChem CID41130724
Molecular FormulaC20H40N2O2
Molecular Weight340.55 g/mol
Exact Mass340.31
IUPAC NameN-[3-(dimethylamino)propyl]-2-[(2S,4R)-4-(3-methylbutyl)-2-propan-2-yloxan-4-yl]acetamide
SMILESCC(C)CC[C@@]1(CC(=O)NCCCN(C)C)CCO[C@H](C(C)C)C1
InChIInChI=1S/C20H40N2O2/c1-16(2)8-9-20(10-13-24-18(14-20)17(3)4)15-19(23)21-11-7-12-22(5)6/h16-18H,7-15H2,1-6H3,(H,21,23)/t18-,20+/m0/s1
InChIKeyYHGRPYNJENYRNB-AZUAARDMSA-N
XLogP3.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.55
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-[(2S,4R)-4-(3-methylbutyl)-2-propan-2-yloxan-4-yl]acetamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-[(2S,4R)-4-(3-methylbutyl)-2-propan-2-yloxan-4-yl]acetamide (CID 41130724) is N-[3-(dimethylamino)propyl]-2-[(2S,4R)-4-(3-methylbutyl)-2-propan-2-yloxan-4-yl]acetamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-[(2S,4R)-4-(3-methylbutyl)-2-propan-2-yloxan-4-yl]acetamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-[(2S,4R)-4-(3-methylbutyl)-2-propan-2-yloxan-4-yl]acetamide is CC(C)CC[C@@]1(CC(=O)NCCCN(C)C)CCO[C@H](C(C)C)C1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-[(2S,4R)-4-(3-methylbutyl)-2-propan-2-yloxan-4-yl]acetamide?
The InChIKey is YHGRPYNJENYRNB-AZUAARDMSA-N. The full InChI is InChI=1S/C20H40N2O2/c1-16(2)8-9-20(10-13-24-18(14-20)17(3)4)15-19(23)21-11-7-12-22(5)6/h16-18H,7-15H2,1-6H3,(H,21,23)/t18-,20+/m0/s1.
What are the key properties of N-[3-(dimethylamino)propyl]-2-[(2S,4R)-4-(3-methylbutyl)-2-propan-2-yloxan-4-yl]acetamide?
N-[3-(dimethylamino)propyl]-2-[(2S,4R)-4-(3-methylbutyl)-2-propan-2-yloxan-4-yl]acetamide has a molecular weight of 340.55 g/mol, XLogP of 3.70, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-[(2S,4R)-4-(3-methylbutyl)-2-propan-2-yloxan-4-yl]acetamide is sourced from PubChem (CID 41130724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).