N-[2-[acetyl(oxolan-2-ylmethyl)amino]ethyl]-4-tert-butylbenzamide

C20H30N2O3 — CID 113053410

IUPACN-[2-[acetyl(oxolan-2-ylmethyl)amino]ethyl]-4-tert-butylbenzamide
SMILESCC(=O)N(CCNC(=O)c1ccc(C(C)(C)C)cc1)CC1CCCO1
InChIInChI=1S/C20H30N2O3/c1-15(23)22(14-18-6-5-13-25-18)12-11-21-19(24)16-7-9-17(10-8-16)20(2,3)4/h7-10,18H,5-6,11-14H2,1-4H3,(H,21,24)
InChIKeyKOQRHLUJHRLNSH-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.74
Rot. Bonds6

About N-[2-[acetyl(oxolan-2-ylmethyl)amino]ethyl]-4-tert-butylbenzamide

N-[2-[acetyl(oxolan-2-ylmethyl)amino]ethyl]-4-tert-butylbenzamide (PubChem CID 113053410) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[2-[acetyl(oxolan-2-ylmethyl)amino]ethyl]-4-tert-butylbenzamide.

Molecular Properties

Compound NameN-[2-[acetyl(oxolan-2-ylmethyl)amino]ethyl]-4-tert-butylbenzamide
PubChem CID113053410
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC NameN-[2-[acetyl(oxolan-2-ylmethyl)amino]ethyl]-4-tert-butylbenzamide
SMILESCC(=O)N(CCNC(=O)c1ccc(C(C)(C)C)cc1)CC1CCCO1
InChIInChI=1S/C20H30N2O3/c1-15(23)22(14-18-6-5-13-25-18)12-11-21-19(24)16-7-9-17(10-8-16)20(2,3)4/h7-10,18H,5-6,11-14H2,1-4H3,(H,21,24)
InChIKeyKOQRHLUJHRLNSH-UHFFFAOYSA-N
XLogP2.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[acetyl(oxolan-2-ylmethyl)amino]ethyl]-4-bromobenzamide
CID 113053401
methyl N-[2-[acetyl(oxolan-2-ylmethyl)amino]ethyl]carbamate
CID 113053446
N-[2-[acetyl(oxolan-2-ylmethyl)amino]ethyl]-2-(4-methylphenoxy)acetamide
CID 113053433
3-[acetyl(oxolan-2-ylmethyl)amino]-N-(2-tert-butylphenyl)propanamide
CID 113117359
4-N-(4-tert-butylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045641
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-N-(oxolan-2-ylmethyl)acetamide
CID 113053462
N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)acetamide
CID 71993848
4-[(4-tert-butylphenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 6914711
N-[2-[(4-ethylphenyl)sulfonylamino]ethyl]-N-(oxolan-2-ylmethyl)acetamide
CID 113053469
3-[acetyl(oxolan-2-ylmethyl)amino]-N-(3-phenylpropyl)propanamide
CID 113117320
4-tert-butyl-N-(oxolan-2-ylmethylcarbamothioyl)benzamide
CID 2947452
3-(N-acetyl-4-tert-butylanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 113126514

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(oxolan-2-ylmethyl)amino]ethyl]-4-tert-butylbenzamide?
The IUPAC name of N-[2-[acetyl(oxolan-2-ylmethyl)amino]ethyl]-4-tert-butylbenzamide (CID 113053410) is N-[2-[acetyl(oxolan-2-ylmethyl)amino]ethyl]-4-tert-butylbenzamide.
What is the SMILES notation for N-[2-[acetyl(oxolan-2-ylmethyl)amino]ethyl]-4-tert-butylbenzamide?
The canonical SMILES for N-[2-[acetyl(oxolan-2-ylmethyl)amino]ethyl]-4-tert-butylbenzamide is CC(=O)N(CCNC(=O)c1ccc(C(C)(C)C)cc1)CC1CCCO1.
What is the InChIKey of N-[2-[acetyl(oxolan-2-ylmethyl)amino]ethyl]-4-tert-butylbenzamide?
The InChIKey is KOQRHLUJHRLNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-15(23)22(14-18-6-5-13-25-18)12-11-21-19(24)16-7-9-17(10-8-16)20(2,3)4/h7-10,18H,5-6,11-14H2,1-4H3,(H,21,24).
What are the key properties of N-[2-[acetyl(oxolan-2-ylmethyl)amino]ethyl]-4-tert-butylbenzamide?
N-[2-[acetyl(oxolan-2-ylmethyl)amino]ethyl]-4-tert-butylbenzamide has a molecular weight of 346.47 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(oxolan-2-ylmethyl)amino]ethyl]-4-tert-butylbenzamide is sourced from PubChem (CID 113053410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).