N-(3-amino-2-methylphenyl)-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]propanamide

C15H24N4O2 — CID 106914626

IUPACN-(3-amino-2-methylphenyl)-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]propanamide
SMILESCNC(=O)CCN(C)C(C)C(=O)Nc1cccc(N)c1C
InChIInChI=1S/C15H24N4O2/c1-10-12(16)6-5-7-13(10)18-15(21)11(2)19(4)9-8-14(20)17-3/h5-7,11H,8-9,16H2,1-4H3,(H,17,20)(H,18,21)
InChIKeyVTIRDZYSKRFCGJ-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.97
Rot. Bonds6

About N-(3-amino-2-methylphenyl)-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]propanamide

N-(3-amino-2-methylphenyl)-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]propanamide (PubChem CID 106914626) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-(3-amino-2-methylphenyl)-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]propanamide.

Molecular Properties

Compound NameN-(3-amino-2-methylphenyl)-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]propanamide
PubChem CID106914626
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-(3-amino-2-methylphenyl)-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]propanamide
SMILESCNC(=O)CCN(C)C(C)C(=O)Nc1cccc(N)c1C
InChIInChI=1S/C15H24N4O2/c1-10-12(16)6-5-7-13(10)18-15(21)11(2)19(4)9-8-14(20)17-3/h5-7,11H,8-9,16H2,1-4H3,(H,17,20)(H,18,21)
InChIKeyVTIRDZYSKRFCGJ-UHFFFAOYSA-N
XLogP0.97
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-fluorophenyl)-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]propanamide
CID 106914617
N-(3-amino-2-methylphenyl)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide
CID 115985430
N-(3-amino-2-methylphenyl)-2-[butan-2-yl(methyl)amino]propanamide
CID 43272512
N-(3-amino-2-methylphenyl)-2-(diethylamino)propanamide
CID 16779035
N-(3-amino-2-methylphenyl)-3-(dimethylamino)propanamide
CID 16792974
N-(3-amino-2-methylphenyl)-4-[1-cyclopropylethyl(methyl)amino]butanamide
CID 43568706
N-(3-amino-2-methylphenyl)-4-propan-2-ylsulfinylbutanamide
CID 61286429
N-(2-aminophenyl)-2-[furan-2-ylmethyl(methyl)amino]propanamide
CID 43526612
N-(3-amino-2-methylphenyl)-2-[methyl(oxolan-3-yl)amino]propanamide
CID 82733294
N-(3-amino-2-methylphenyl)-2-[methyl(thiolan-3-yl)amino]propanamide
CID 43296275
N-(2-aminophenyl)-2-[methyl(2-methylbutyl)amino]propanamide
CID 43295395
2-[2-hydroxyethyl(methyl)amino]-N-naphthalen-1-ylpropanamide
CID 110880711

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylphenyl)-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]propanamide?
The IUPAC name of N-(3-amino-2-methylphenyl)-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]propanamide (CID 106914626) is N-(3-amino-2-methylphenyl)-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]propanamide.
What is the SMILES notation for N-(3-amino-2-methylphenyl)-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]propanamide?
The canonical SMILES for N-(3-amino-2-methylphenyl)-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]propanamide is CNC(=O)CCN(C)C(C)C(=O)Nc1cccc(N)c1C.
What is the InChIKey of N-(3-amino-2-methylphenyl)-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]propanamide?
The InChIKey is VTIRDZYSKRFCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-10-12(16)6-5-7-13(10)18-15(21)11(2)19(4)9-8-14(20)17-3/h5-7,11H,8-9,16H2,1-4H3,(H,17,20)(H,18,21).
What are the key properties of N-(3-amino-2-methylphenyl)-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]propanamide?
N-(3-amino-2-methylphenyl)-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]propanamide has a molecular weight of 292.38 g/mol, XLogP of 0.97, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylphenyl)-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]propanamide is sourced from PubChem (CID 106914626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).