4-amino-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide

C14H21N3O2 — CID 61248489

IUPAC4-amino-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide
SMILESCc1cc(C(=O)NCCNC(=O)C(C)C)ccc1N
InChIInChI=1S/C14H21N3O2/c1-9(2)13(18)16-6-7-17-14(19)11-4-5-12(15)10(3)8-11/h4-5,8-9H,6-7,15H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyFTVMCCOWWONFEH-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.08
Rot. Bonds5

About 4-amino-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide

4-amino-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide (PubChem CID 61248489) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-amino-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide
PubChem CID61248489
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-amino-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide
SMILESCc1cc(C(=O)NCCNC(=O)C(C)C)ccc1N
InChIInChI=1S/C14H21N3O2/c1-9(2)13(18)16-6-7-17-14(19)11-4-5-12(15)10(3)8-11/h4-5,8-9H,6-7,15H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyFTVMCCOWWONFEH-UHFFFAOYSA-N
XLogP1.08
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[2-(dimethylcarbamoylamino)ethyl]-3-methylbenzamide
CID 83109029
4-amino-3-methyl-N-(2-methylsulfonylethyl)benzamide
CID 54932022
(2S)-3-[(4-amino-3-methylbenzoyl)amino]-2-hydroxypropanoic acid
CID 114006812
4-amino-3-methyl-N-octylbenzamide
CID 115565914
4-amino-N-(5-amino-5-oxopentyl)-3-methylbenzamide
CID 106233185
N-[2-[(2,2-dichloroacetyl)amino]ethyl]-3,4-dimethylbenzamide
CID 108574747
4-amino-3-bromo-N-[2-(2-methylphenyl)ethyl]benzamide
CID 79749765
4-amino-N-[4-(diethylamino)butyl]-3-methylbenzamide
CID 110486010
tert-butyl N-[3-[(4-amino-3-methylbenzoyl)amino]propyl]carbamate
CID 104932611
3-bromo-4-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 81476107
(2R)-2-[(4-amino-3-methylbenzoyl)amino]propanoic acid
CID 78972566
4-amino-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide
CID 28993545

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide?
The IUPAC name of 4-amino-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide (CID 61248489) is 4-amino-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide.
What is the SMILES notation for 4-amino-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide?
The canonical SMILES for 4-amino-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide is Cc1cc(C(=O)NCCNC(=O)C(C)C)ccc1N.
What is the InChIKey of 4-amino-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide?
The InChIKey is FTVMCCOWWONFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9(2)13(18)16-6-7-17-14(19)11-4-5-12(15)10(3)8-11/h4-5,8-9H,6-7,15H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of 4-amino-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide?
4-amino-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide has a molecular weight of 263.34 g/mol, XLogP of 1.08, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide is sourced from PubChem (CID 61248489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).