N-(3-amino-3-oxopropyl)-N-methyl-4-propan-2-ylbenzamide

C14H20N2O2 — CID 166591542

IUPACN-(3-amino-3-oxopropyl)-N-methyl-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)N(C)CCC(N)=O)cc1
InChIInChI=1S/C14H20N2O2/c1-10(2)11-4-6-12(7-5-11)14(18)16(3)9-8-13(15)17/h4-7,10H,8-9H2,1-3H3,(H2,15,17)
InChIKeyTTWNDHFTTIMRAE-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.76
Rot. Bonds5

About N-(3-amino-3-oxopropyl)-N-methyl-4-propan-2-ylbenzamide

N-(3-amino-3-oxopropyl)-N-methyl-4-propan-2-ylbenzamide (PubChem CID 166591542) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-N-methyl-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-N-methyl-4-propan-2-ylbenzamide
PubChem CID166591542
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(3-amino-3-oxopropyl)-N-methyl-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)N(C)CCC(N)=O)cc1
InChIInChI=1S/C14H20N2O2/c1-10(2)11-4-6-12(7-5-11)14(18)16(3)9-8-13(15)17/h4-7,10H,8-9H2,1-3H3,(H2,15,17)
InChIKeyTTWNDHFTTIMRAE-UHFFFAOYSA-N
XLogP1.76
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-oxo-6-(4-propan-2-ylphenyl)hexanamide
CID 174637388
N-(2-amino-3-methoxypropyl)-N-methyl-4-propan-2-ylbenzamide
CID 63754011
N-methyl-N-[3-[4-(methylcarbamoyl)phenyl]butyl]-4-propan-2-ylbenzamide
CID 134213133
ethane;3-(4-propan-2-ylphenyl)propanamide
CID 142410323
1-methyl-1-[2-(4-propan-2-ylphenyl)ethyl]urea
CID 115168591
N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-propan-2-ylbenzamide
CID 9475393
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-4-propan-2-ylbenzamide
CID 115272619
N-[(3E)-3-amino-3-hydroxyiminopropyl]-4-chloro-N-methylbenzamide
CID 6249988
4-carbamothioyl-N-methyl-N-(3-methylbutyl)benzamide
CID 61429258
N'-methyl-N'-[2-(4-propan-2-ylphenyl)ethyl]oxamide
CID 115192179
4-amino-N-(2-amino-2-oxoethyl)-N-methylbenzamide
CID 43373883
1,4-bis(4-propan-2-ylphenyl)butane-1,4-dione
CID 166515280

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-N-methyl-4-propan-2-ylbenzamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-N-methyl-4-propan-2-ylbenzamide (CID 166591542) is N-(3-amino-3-oxopropyl)-N-methyl-4-propan-2-ylbenzamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-N-methyl-4-propan-2-ylbenzamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-N-methyl-4-propan-2-ylbenzamide is CC(C)c1ccc(C(=O)N(C)CCC(N)=O)cc1.
What is the InChIKey of N-(3-amino-3-oxopropyl)-N-methyl-4-propan-2-ylbenzamide?
The InChIKey is TTWNDHFTTIMRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(2)11-4-6-12(7-5-11)14(18)16(3)9-8-13(15)17/h4-7,10H,8-9H2,1-3H3,(H2,15,17).
What are the key properties of N-(3-amino-3-oxopropyl)-N-methyl-4-propan-2-ylbenzamide?
N-(3-amino-3-oxopropyl)-N-methyl-4-propan-2-ylbenzamide has a molecular weight of 248.33 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-N-methyl-4-propan-2-ylbenzamide is sourced from PubChem (CID 166591542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).