N-butyl-2-[3-(N-methylanilino)propylamino]acetamide

C16H27N3O — CID 60693948

IUPACN-butyl-2-[3-(N-methylanilino)propylamino]acetamide
SMILESCCCCNC(=O)CNCCCN(C)c1ccccc1
InChIInChI=1S/C16H27N3O/c1-3-4-12-18-16(20)14-17-11-8-13-19(2)15-9-6-5-7-10-15/h5-7,9-10,17H,3-4,8,11-14H2,1-2H3,(H,18,20)
InChIKeyLIYYUIKKJPUYII-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.02
Rot. Bonds10

About N-butyl-2-[3-(N-methylanilino)propylamino]acetamide

N-butyl-2-[3-(N-methylanilino)propylamino]acetamide (PubChem CID 60693948) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-butyl-2-[3-(N-methylanilino)propylamino]acetamide.

Molecular Properties

Compound NameN-butyl-2-[3-(N-methylanilino)propylamino]acetamide
PubChem CID60693948
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-butyl-2-[3-(N-methylanilino)propylamino]acetamide
SMILESCCCCNC(=O)CNCCCN(C)c1ccccc1
InChIInChI=1S/C16H27N3O/c1-3-4-12-18-16(20)14-17-11-8-13-19(2)15-9-6-5-7-10-15/h5-7,9-10,17H,3-4,8,11-14H2,1-2H3,(H,18,20)
InChIKeyLIYYUIKKJPUYII-UHFFFAOYSA-N
XLogP2.02
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
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

N-[3-(N-methylanilino)propyl]pentanamide
CID 78799629
N-(2-methoxyethyl)-2-[3-(N-methylanilino)propylamino]acetamide
CID 60693730
N-(2-cyanoethyl)-2-[3-(N-methylanilino)propylamino]acetamide
CID 28573424
2-tert-butylsulfanyl-N-[3-(N-methylanilino)propyl]acetamide
CID 78814923
2-iodo-N-[2-[3-(N-methylanilino)propylamino]-2-oxoethyl]benzamide
CID 25472463
N-[2-[3-(N-methylanilino)propylamino]-2-oxoethyl]adamantane-1-carboxamide
CID 18110928
3-amino-N-[3-(N-methylanilino)propyl]butanamide
CID 60835666
3-amino-3-methyl-N-[3-(N-methylanilino)propyl]butanamide
CID 64685522
4-(methylamino)-N-[3-(N-methylanilino)propyl]butanamide;dihydrochloride
CID 119831619
N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
N-cyclopropyl-N-methyl-2-[3-(N-methylanilino)propylamino]acetamide
CID 61488484
ethyl 2-[[3-(N-methylanilino)propylamino]methyl]prop-2-enoate
CID 103232573

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[3-(N-methylanilino)propylamino]acetamide?
The IUPAC name of N-butyl-2-[3-(N-methylanilino)propylamino]acetamide (CID 60693948) is N-butyl-2-[3-(N-methylanilino)propylamino]acetamide.
What is the SMILES notation for N-butyl-2-[3-(N-methylanilino)propylamino]acetamide?
The canonical SMILES for N-butyl-2-[3-(N-methylanilino)propylamino]acetamide is CCCCNC(=O)CNCCCN(C)c1ccccc1.
What is the InChIKey of N-butyl-2-[3-(N-methylanilino)propylamino]acetamide?
The InChIKey is LIYYUIKKJPUYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-3-4-12-18-16(20)14-17-11-8-13-19(2)15-9-6-5-7-10-15/h5-7,9-10,17H,3-4,8,11-14H2,1-2H3,(H,18,20).
What are the key properties of N-butyl-2-[3-(N-methylanilino)propylamino]acetamide?
N-butyl-2-[3-(N-methylanilino)propylamino]acetamide has a molecular weight of 277.41 g/mol, XLogP of 2.02, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[3-(N-methylanilino)propylamino]acetamide is sourced from PubChem (CID 60693948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).