2-[3-(N-methylanilino)propylamino]-N-propan-2-ylpropanamide

C16H27N3O — CID 43089243

IUPAC2-[3-(N-methylanilino)propylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)NCCCN(C)c1ccccc1
InChIInChI=1S/C16H27N3O/c1-13(2)18-16(20)14(3)17-11-8-12-19(4)15-9-6-5-7-10-15/h5-7,9-10,13-14,17H,8,11-12H2,1-4H3,(H,18,20)
InChIKeyDXKDLBXJEUWXAW-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.02
Rot. Bonds8

About 2-[3-(N-methylanilino)propylamino]-N-propan-2-ylpropanamide

2-[3-(N-methylanilino)propylamino]-N-propan-2-ylpropanamide (PubChem CID 43089243) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[3-(N-methylanilino)propylamino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[3-(N-methylanilino)propylamino]-N-propan-2-ylpropanamide
PubChem CID43089243
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-[3-(N-methylanilino)propylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)NCCCN(C)c1ccccc1
InChIInChI=1S/C16H27N3O/c1-13(2)18-16(20)14(3)17-11-8-12-19(4)15-9-6-5-7-10-15/h5-7,9-10,13-14,17H,8,11-12H2,1-4H3,(H,18,20)
InChIKeyDXKDLBXJEUWXAW-UHFFFAOYSA-N
XLogP2.02
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(N-methylanilino)propylamino]-N-(methylcarbamoyl)propanamide
CID 43089232
N-(2-methoxyethyl)-2-[3-(N-methylanilino)propylamino]propanamide
CID 43089244
3-[3-(N-methylanilino)propylamino]butanoic acid
CID 43536640
N-[3-(N-methylanilino)propyl]-2-(propan-2-ylcarbamoylamino)benzamide
CID 46551983
N-(1-cyclopropylethyl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 43192316
2-N-[3-(N-methylanilino)propyl]propane-1,2-diamine
CID 103387090
N-[2-(N-methylanilino)ethyl]-4-(propan-2-ylamino)butanamide
CID 61259926
3-amino-N-[3-(N-methylanilino)propyl]butanamide
CID 60835666
2-chloro-N-[2-(N-methylanilino)ethyl]propanamide
CID 43168070
N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
N-[(2S)-3-methyl-1-[3-(N-methylanilino)propylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 52524654
2-amino-N-[3-(N-methylanilino)propyl]butanediamide
CID 60848085

Frequently Asked Questions

What is the IUPAC name of 2-[3-(N-methylanilino)propylamino]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[3-(N-methylanilino)propylamino]-N-propan-2-ylpropanamide (CID 43089243) is 2-[3-(N-methylanilino)propylamino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[3-(N-methylanilino)propylamino]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[3-(N-methylanilino)propylamino]-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)NCCCN(C)c1ccccc1.
What is the InChIKey of 2-[3-(N-methylanilino)propylamino]-N-propan-2-ylpropanamide?
The InChIKey is DXKDLBXJEUWXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-13(2)18-16(20)14(3)17-11-8-12-19(4)15-9-6-5-7-10-15/h5-7,9-10,13-14,17H,8,11-12H2,1-4H3,(H,18,20).
What are the key properties of 2-[3-(N-methylanilino)propylamino]-N-propan-2-ylpropanamide?
2-[3-(N-methylanilino)propylamino]-N-propan-2-ylpropanamide has a molecular weight of 277.41 g/mol, XLogP of 2.02, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(N-methylanilino)propylamino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 43089243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).