N-benzyl-N-[2-(2,2-dimethyl-4-propan-2-yloxan-4-yl)ethyl]propanamide

C22H35NO2 — CID 3471275

IUPACN-benzyl-N-[2-(2,2-dimethyl-4-propan-2-yloxan-4-yl)ethyl]propanamide
SMILESCCC(=O)N(CCC1(C(C)C)CCOC(C)(C)C1)Cc1ccccc1
InChIInChI=1S/C22H35NO2/c1-6-20(24)23(16-19-10-8-7-9-11-19)14-12-22(18(2)3)13-15-25-21(4,5)17-22/h7-11,18H,6,12-17H2,1-5H3
InChIKeyLCWHOMOZMJEPEV-UHFFFAOYSA-N
MW345.53 g/mol
LogP5.05
Rot. Bonds7

About N-benzyl-N-[2-(2,2-dimethyl-4-propan-2-yloxan-4-yl)ethyl]propanamide

N-benzyl-N-[2-(2,2-dimethyl-4-propan-2-yloxan-4-yl)ethyl]propanamide (PubChem CID 3471275) has the molecular formula C22H35NO2 and a molecular weight of 345.53 g/mol. Its IUPAC name is N-benzyl-N-[2-(2,2-dimethyl-4-propan-2-yloxan-4-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-benzyl-N-[2-(2,2-dimethyl-4-propan-2-yloxan-4-yl)ethyl]propanamide
PubChem CID3471275
Molecular FormulaC22H35NO2
Molecular Weight345.53 g/mol
Exact Mass345.27
IUPAC NameN-benzyl-N-[2-(2,2-dimethyl-4-propan-2-yloxan-4-yl)ethyl]propanamide
SMILESCCC(=O)N(CCC1(C(C)C)CCOC(C)(C)C1)Cc1ccccc1
InChIInChI=1S/C22H35NO2/c1-6-20(24)23(16-19-10-8-7-9-11-19)14-12-22(18(2)3)13-15-25-21(4,5)17-22/h7-11,18H,6,12-17H2,1-5H3
InChIKeyLCWHOMOZMJEPEV-UHFFFAOYSA-N
XLogP5.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.53
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-[2-[(4S)-2,2-dimethyl-4-(4-methylphenyl)oxan-4-yl]ethyl]propanamide
CID 35045613
N-benzyl-N-[2-[4-[4-(dimethylamino)phenyl]-2,2-dimethyloxan-4-yl]ethyl]acetamide
CID 23796110
(2S)-3-[benzyl(propanoyl)amino]-2-methylpropanoic acid
CID 95537487
N-benzyl-N-[2-[(2R,4R)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]propanamide
CID 7082892
N-benzyl-N-butylpropanamide
CID 12502571
N-benzyl-N-(2-chloroethyl)propanamide
CID 63390961
N-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-N-[2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]propanamide
CID 7079370
2-[(4S)-2,2-dimethyl-4-propan-2-yloxan-4-yl]acetate
CID 7093191
N-benzyl-N-[2-[(4S)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]furan-2-carboxamide
CID 40815429
N-benzyl-N-(2-chloroethyl)-2-propan-2-yloxyacetamide
CID 112603928
(E)-N-[2-[(4R)-2,2-dimethyl-4-propan-2-yloxan-4-yl]ethyl]-3-phenylprop-2-en-1-amine
CID 7095027
N-[[4-(dimethylamino)phenyl]methyl]-N-[2-[(4S)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]acetamide
CID 1119817

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(2,2-dimethyl-4-propan-2-yloxan-4-yl)ethyl]propanamide?
The IUPAC name of N-benzyl-N-[2-(2,2-dimethyl-4-propan-2-yloxan-4-yl)ethyl]propanamide (CID 3471275) is N-benzyl-N-[2-(2,2-dimethyl-4-propan-2-yloxan-4-yl)ethyl]propanamide.
What is the SMILES notation for N-benzyl-N-[2-(2,2-dimethyl-4-propan-2-yloxan-4-yl)ethyl]propanamide?
The canonical SMILES for N-benzyl-N-[2-(2,2-dimethyl-4-propan-2-yloxan-4-yl)ethyl]propanamide is CCC(=O)N(CCC1(C(C)C)CCOC(C)(C)C1)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-[2-(2,2-dimethyl-4-propan-2-yloxan-4-yl)ethyl]propanamide?
The InChIKey is LCWHOMOZMJEPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35NO2/c1-6-20(24)23(16-19-10-8-7-9-11-19)14-12-22(18(2)3)13-15-25-21(4,5)17-22/h7-11,18H,6,12-17H2,1-5H3.
What are the key properties of N-benzyl-N-[2-(2,2-dimethyl-4-propan-2-yloxan-4-yl)ethyl]propanamide?
N-benzyl-N-[2-(2,2-dimethyl-4-propan-2-yloxan-4-yl)ethyl]propanamide has a molecular weight of 345.53 g/mol, XLogP of 5.05, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-(2,2-dimethyl-4-propan-2-yloxan-4-yl)ethyl]propanamide is sourced from PubChem (CID 3471275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).