N-[3-(3-aminopropanoylamino)-4-methylphenyl]-2-methylpropanamide

C14H21N3O2 — CID 82034485

IUPACN-[3-(3-aminopropanoylamino)-4-methylphenyl]-2-methylpropanamide
SMILESCc1ccc(NC(=O)C(C)C)cc1NC(=O)CCN
InChIInChI=1S/C14H21N3O2/c1-9(2)14(19)16-11-5-4-10(3)12(8-11)17-13(18)6-7-15/h4-5,8-9H,6-7,15H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyILCATTLOYAQTAJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.88
Rot. Bonds5

About N-[3-(3-aminopropanoylamino)-4-methylphenyl]-2-methylpropanamide

N-[3-(3-aminopropanoylamino)-4-methylphenyl]-2-methylpropanamide (PubChem CID 82034485) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[3-(3-aminopropanoylamino)-4-methylphenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-(3-aminopropanoylamino)-4-methylphenyl]-2-methylpropanamide
PubChem CID82034485
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-[3-(3-aminopropanoylamino)-4-methylphenyl]-2-methylpropanamide
SMILESCc1ccc(NC(=O)C(C)C)cc1NC(=O)CCN
InChIInChI=1S/C14H21N3O2/c1-9(2)14(19)16-11-5-4-10(3)12(8-11)17-13(18)6-7-15/h4-5,8-9H,6-7,15H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyILCATTLOYAQTAJ-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[4-methyl-3-(3-phenylpropanoylamino)phenyl]propanamide
CID 46485889
N-[3-[3-(2-methoxyphenyl)propanoylamino]-4-methylphenyl]-2-methylpropanamide
CID 55708058
N-[3-[(3-amino-3-phenylpropanoyl)amino]-4-methylphenyl]-2-methylpropanamide
CID 119949941
N-[5-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-2-methylphenyl]-2-methylpropanamide
CID 131943184
N-[3-(3-aminopropanoylamino)-4-methylphenyl]-4-chlorobenzamide
CID 82034507
N-[3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-4-methylphenyl]-2-methylpropanamide
CID 87029073
4-bromo-N-[3-[2-methyl-5-(2-methylpropanoylamino)anilino]-3-oxopropyl]benzamide
CID 46485893
2-methyl-N-[4-methyl-3-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 47041621
2-methyl-N-[4-methyl-3-[[2-(prop-2-enoylamino)acetyl]amino]phenyl]propanamide
CID 166411586
N-[3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methylphenyl]-2-methylpropanamide
CID 119725790
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylphenyl]-2-methylpropanamide
CID 46475613
N-[3-(aminomethyl)-4-methylphenyl]-2-methylpropanamide
CID 82507167

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-aminopropanoylamino)-4-methylphenyl]-2-methylpropanamide?
The IUPAC name of N-[3-(3-aminopropanoylamino)-4-methylphenyl]-2-methylpropanamide (CID 82034485) is N-[3-(3-aminopropanoylamino)-4-methylphenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-(3-aminopropanoylamino)-4-methylphenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-(3-aminopropanoylamino)-4-methylphenyl]-2-methylpropanamide is Cc1ccc(NC(=O)C(C)C)cc1NC(=O)CCN.
What is the InChIKey of N-[3-(3-aminopropanoylamino)-4-methylphenyl]-2-methylpropanamide?
The InChIKey is ILCATTLOYAQTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9(2)14(19)16-11-5-4-10(3)12(8-11)17-13(18)6-7-15/h4-5,8-9H,6-7,15H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of N-[3-(3-aminopropanoylamino)-4-methylphenyl]-2-methylpropanamide?
N-[3-(3-aminopropanoylamino)-4-methylphenyl]-2-methylpropanamide has a molecular weight of 263.34 g/mol, XLogP of 1.88, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-aminopropanoylamino)-4-methylphenyl]-2-methylpropanamide is sourced from PubChem (CID 82034485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).