3-amino-3-methyl-N-[3-(N-methylanilino)propyl]butanamide

C15H25N3O — CID 64685522

IUPAC3-amino-3-methyl-N-[3-(N-methylanilino)propyl]butanamide
SMILESCN(CCCNC(=O)CC(C)(C)N)c1ccccc1
InChIInChI=1S/C15H25N3O/c1-15(2,16)12-14(19)17-10-7-11-18(3)13-8-5-4-6-9-13/h4-6,8-9H,7,10-12,16H2,1-3H3,(H,17,19)
InChIKeyIZUSBDBOLXCXCD-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.76
Rot. Bonds7

About 3-amino-3-methyl-N-[3-(N-methylanilino)propyl]butanamide

3-amino-3-methyl-N-[3-(N-methylanilino)propyl]butanamide (PubChem CID 64685522) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-amino-3-methyl-N-[3-(N-methylanilino)propyl]butanamide.

Molecular Properties

Compound Name3-amino-3-methyl-N-[3-(N-methylanilino)propyl]butanamide
PubChem CID64685522
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name3-amino-3-methyl-N-[3-(N-methylanilino)propyl]butanamide
SMILESCN(CCCNC(=O)CC(C)(C)N)c1ccccc1
InChIInChI=1S/C15H25N3O/c1-15(2,16)12-14(19)17-10-7-11-18(3)13-8-5-4-6-9-13/h4-6,8-9H,7,10-12,16H2,1-3H3,(H,17,19)
InChIKeyIZUSBDBOLXCXCD-UHFFFAOYSA-N
XLogP1.76
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.76
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-tert-butylsulfanyl-N-[3-(N-methylanilino)propyl]acetamide
CID 78814923
3-amino-N-[3-(N-methylanilino)propyl]butanamide
CID 60835666
N-[3-(N-methylanilino)propyl]pentanamide
CID 78799629
2-methyl-2-(methylamino)-N-[3-(N-methylanilino)propyl]propanamide
CID 62834119
4-(methylamino)-N-[3-(N-methylanilino)propyl]butanamide;dihydrochloride
CID 119831619
N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
2-(2-methoxyphenyl)-N-[3-(N-methylanilino)propyl]acetamide
CID 31103541
N-butyl-2-[3-(N-methylanilino)propylamino]acetamide
CID 60693948
N-[3-(N-methylanilino)propyl]-2-naphthalen-1-ylacetamide
CID 27746775
2,2,2-trifluoroethyl N-[3-(N-methylanilino)propyl]carbamate
CID 65173936
2-[methyl-[3-(N-methylanilino)propylcarbamoyl]amino]acetic acid
CID 43135762
2-methyl-N-[3-(N-methylanilino)propyl]prop-2-enamide
CID 154634175

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-N-[3-(N-methylanilino)propyl]butanamide?
The IUPAC name of 3-amino-3-methyl-N-[3-(N-methylanilino)propyl]butanamide (CID 64685522) is 3-amino-3-methyl-N-[3-(N-methylanilino)propyl]butanamide.
What is the SMILES notation for 3-amino-3-methyl-N-[3-(N-methylanilino)propyl]butanamide?
The canonical SMILES for 3-amino-3-methyl-N-[3-(N-methylanilino)propyl]butanamide is CN(CCCNC(=O)CC(C)(C)N)c1ccccc1.
What is the InChIKey of 3-amino-3-methyl-N-[3-(N-methylanilino)propyl]butanamide?
The InChIKey is IZUSBDBOLXCXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-15(2,16)12-14(19)17-10-7-11-18(3)13-8-5-4-6-9-13/h4-6,8-9H,7,10-12,16H2,1-3H3,(H,17,19).
What are the key properties of 3-amino-3-methyl-N-[3-(N-methylanilino)propyl]butanamide?
3-amino-3-methyl-N-[3-(N-methylanilino)propyl]butanamide has a molecular weight of 263.38 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-N-[3-(N-methylanilino)propyl]butanamide is sourced from PubChem (CID 64685522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).