N-[3-(tert-butylamino)-3-oxopropyl]-3-methylbenzamide

C15H22N2O2 — CID 17191330

IUPACN-[3-(tert-butylamino)-3-oxopropyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCC(=O)NC(C)(C)C)c1
InChIInChI=1S/C15H22N2O2/c1-11-6-5-7-12(10-11)14(19)16-9-8-13(18)17-15(2,3)4/h5-7,10H,8-9H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyVFWRLTHEBHAWKG-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.03
Rot. Bonds4

About N-[3-(tert-butylamino)-3-oxopropyl]-3-methylbenzamide

N-[3-(tert-butylamino)-3-oxopropyl]-3-methylbenzamide (PubChem CID 17191330) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[3-(tert-butylamino)-3-oxopropyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[3-(tert-butylamino)-3-oxopropyl]-3-methylbenzamide
PubChem CID17191330
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[3-(tert-butylamino)-3-oxopropyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCC(=O)NC(C)(C)C)c1
InChIInChI=1S/C15H22N2O2/c1-11-6-5-7-12(10-11)14(19)16-9-8-13(18)17-15(2,3)4/h5-7,10H,8-9H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyVFWRLTHEBHAWKG-UHFFFAOYSA-N
XLogP2.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(N-tert-butyl-N'-methylcarbamimidoyl)amino]ethyl]-3-methylbenzamide
CID 110967266
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-methylbenzamide
CID 17191435
N-[3-(benzhydrylamino)-3-oxopropyl]-3-methylbenzamide
CID 2442272
N-[3-(cyclopentylamino)-3-oxopropyl]-3-methylbenzamide
CID 17191350
tert-butyl N-[2-[(3-methylbenzoyl)amino]ethyl]carbamate
CID 71248417
N-[3-(tert-butylamino)-3-oxopropyl]-2-fluoro-5-methylbenzamide
CID 115609087
N-[3-(tert-butylamino)-3-oxopropyl]-4-fluorobenzamide
CID 47365751
methyl 3-[[2-[(3-methylbenzoyl)amino]acetyl]amino]propanoate
CID 60637105
N-[[4-[[2-(tert-butylamino)-2-oxoethyl]amino]cyclohexyl]methyl]-3-methylbenzamide
CID 67567267
methyl 4-methyl-2-[3-[(3-methylbenzoyl)amino]propanoylamino]pentanoate
CID 51064933
N-[3-(4-ethoxyanilino)-3-oxopropyl]-3-methylbenzamide
CID 17191376
N-[3-(1,2-diphenylethylamino)-3-oxopropyl]-3-methylbenzamide
CID 43021863

Frequently Asked Questions

What is the IUPAC name of N-[3-(tert-butylamino)-3-oxopropyl]-3-methylbenzamide?
The IUPAC name of N-[3-(tert-butylamino)-3-oxopropyl]-3-methylbenzamide (CID 17191330) is N-[3-(tert-butylamino)-3-oxopropyl]-3-methylbenzamide.
What is the SMILES notation for N-[3-(tert-butylamino)-3-oxopropyl]-3-methylbenzamide?
The canonical SMILES for N-[3-(tert-butylamino)-3-oxopropyl]-3-methylbenzamide is Cc1cccc(C(=O)NCCC(=O)NC(C)(C)C)c1.
What is the InChIKey of N-[3-(tert-butylamino)-3-oxopropyl]-3-methylbenzamide?
The InChIKey is VFWRLTHEBHAWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-6-5-7-12(10-11)14(19)16-9-8-13(18)17-15(2,3)4/h5-7,10H,8-9H2,1-4H3,(H,16,19)(H,17,18).
What are the key properties of N-[3-(tert-butylamino)-3-oxopropyl]-3-methylbenzamide?
N-[3-(tert-butylamino)-3-oxopropyl]-3-methylbenzamide has a molecular weight of 262.35 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(tert-butylamino)-3-oxopropyl]-3-methylbenzamide is sourced from PubChem (CID 17191330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).