N-[2-[N-acetyl-2,6-di(propan-2-yl)anilino]ethyl]pentanamide

C21H34N2O2 — CID 113063100

IUPACN-[2-[N-acetyl-2,6-di(propan-2-yl)anilino]ethyl]pentanamide
SMILESCCCCC(=O)NCCN(C(C)=O)c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C21H34N2O2/c1-7-8-12-20(25)22-13-14-23(17(6)24)21-18(15(2)3)10-9-11-19(21)16(4)5/h9-11,15-16H,7-8,12-14H2,1-6H3,(H,22,25)
InChIKeyUDPQQVMEMDIUDH-UHFFFAOYSA-N
MW346.52 g/mol
LogP4.59
Rot. Bonds9

About N-[2-[N-acetyl-2,6-di(propan-2-yl)anilino]ethyl]pentanamide

N-[2-[N-acetyl-2,6-di(propan-2-yl)anilino]ethyl]pentanamide (PubChem CID 113063100) has the molecular formula C21H34N2O2 and a molecular weight of 346.52 g/mol. Its IUPAC name is N-[2-[N-acetyl-2,6-di(propan-2-yl)anilino]ethyl]pentanamide.

Molecular Properties

Compound NameN-[2-[N-acetyl-2,6-di(propan-2-yl)anilino]ethyl]pentanamide
PubChem CID113063100
Molecular FormulaC21H34N2O2
Molecular Weight346.52 g/mol
Exact Mass346.26
IUPAC NameN-[2-[N-acetyl-2,6-di(propan-2-yl)anilino]ethyl]pentanamide
SMILESCCCCC(=O)NCCN(C(C)=O)c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C21H34N2O2/c1-7-8-12-20(25)22-13-14-23(17(6)24)21-18(15(2)3)10-9-11-19(21)16(4)5/h9-11,15-16H,7-8,12-14H2,1-6H3,(H,22,25)
InChIKeyUDPQQVMEMDIUDH-UHFFFAOYSA-N
XLogP4.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[N-acetyl-2,6-di(propan-2-yl)anilino]ethyl]-2-(2-methylphenyl)acetamide
CID 113063126
3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113126259
N-[2-(N-acetyl-2-ethylanilino)ethyl]pentanamide
CID 113058287
3-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-[(4-fluorophenyl)methyl]propanamide
CID 113133128
3-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(furan-2-ylmethyl)propanamide
CID 113133120
N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]pentanamide
CID 113061363
N-[2-(N-acetyl-2-methyl-6-propan-2-ylanilino)ethyl]-2-thiophen-2-ylacetamide
CID 113058958
N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]pentanamide
CID 113061483
N-[2-(N-acetyl-4-cyanoanilino)ethyl]pentanamide
CID 113064309
2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N,N-dipropylacetamide
CID 113178595
[2,6-di(propan-2-yl)phenyl] 4-[2-(dibutylamino)ethylamino]-4-oxobutanoate
CID 11464640
N-[2-(N-acetyl-2,6-dimethylanilino)ethyl]propanamide
CID 113058073

Frequently Asked Questions

What is the IUPAC name of N-[2-[N-acetyl-2,6-di(propan-2-yl)anilino]ethyl]pentanamide?
The IUPAC name of N-[2-[N-acetyl-2,6-di(propan-2-yl)anilino]ethyl]pentanamide (CID 113063100) is N-[2-[N-acetyl-2,6-di(propan-2-yl)anilino]ethyl]pentanamide.
What is the SMILES notation for N-[2-[N-acetyl-2,6-di(propan-2-yl)anilino]ethyl]pentanamide?
The canonical SMILES for N-[2-[N-acetyl-2,6-di(propan-2-yl)anilino]ethyl]pentanamide is CCCCC(=O)NCCN(C(C)=O)c1c(C(C)C)cccc1C(C)C.
What is the InChIKey of N-[2-[N-acetyl-2,6-di(propan-2-yl)anilino]ethyl]pentanamide?
The InChIKey is UDPQQVMEMDIUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O2/c1-7-8-12-20(25)22-13-14-23(17(6)24)21-18(15(2)3)10-9-11-19(21)16(4)5/h9-11,15-16H,7-8,12-14H2,1-6H3,(H,22,25).
What are the key properties of N-[2-[N-acetyl-2,6-di(propan-2-yl)anilino]ethyl]pentanamide?
N-[2-[N-acetyl-2,6-di(propan-2-yl)anilino]ethyl]pentanamide has a molecular weight of 346.52 g/mol, XLogP of 4.59, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[N-acetyl-2,6-di(propan-2-yl)anilino]ethyl]pentanamide is sourced from PubChem (CID 113063100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).