3-amino-N-[2-(N-methylanilino)ethyl]butanamide

C13H21N3O — CID 61258847

IUPAC3-amino-N-[2-(N-methylanilino)ethyl]butanamide
SMILESCC(N)CC(=O)NCCN(C)c1ccccc1
InChIInChI=1S/C13H21N3O/c1-11(14)10-13(17)15-8-9-16(2)12-6-4-3-5-7-12/h3-7,11H,8-10,14H2,1-2H3,(H,15,17)
InChIKeyXZUSXTFGRUGAIG-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.98
Rot. Bonds6

About 3-amino-N-[2-(N-methylanilino)ethyl]butanamide

3-amino-N-[2-(N-methylanilino)ethyl]butanamide (PubChem CID 61258847) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-amino-N-[2-(N-methylanilino)ethyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[2-(N-methylanilino)ethyl]butanamide
PubChem CID61258847
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-amino-N-[2-(N-methylanilino)ethyl]butanamide
SMILESCC(N)CC(=O)NCCN(C)c1ccccc1
InChIInChI=1S/C13H21N3O/c1-11(14)10-13(17)15-8-9-16(2)12-6-4-3-5-7-12/h3-7,11H,8-10,14H2,1-2H3,(H,15,17)
InChIKeyXZUSXTFGRUGAIG-UHFFFAOYSA-N
XLogP0.98
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[3-(N-methylanilino)propyl]butanamide
CID 60835666
4-amino-3-methoxy-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride
CID 120594933
5-amino-4-methyl-N-[2-(N-methylanilino)ethyl]pentanamide
CID 82012269
2-chloro-N-[2-(N-methylanilino)ethyl]propanamide
CID 43168070
N-[2-(N-methylanilino)ethyl]-4-(propan-2-ylamino)butanamide
CID 61259926
(2S)-2-amino-N-[2-(N-methylanilino)ethyl]hexanamide
CID 103831929
(2R)-2-amino-N-[2-(N-methylanilino)ethyl]-4-methylsulfanylbutanamide
CID 104908153
6-amino-N-[2-(N-methylanilino)ethyl]hexanamide
CID 61260836
N-[2-(dimethylamino)ethyl]-3-(N-methylanilino)propanamide
CID 109016239
1-N,4-N-bis[2-(N-methylanilino)ethyl]benzene-1,4-dicarboxamide
CID 35617422
2-amino-N-[3-(N-methylanilino)propyl]butanediamide
CID 60848085
3-(tert-butylamino)-N-[2-(N-methylanilino)ethyl]propanamide
CID 61260104

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(N-methylanilino)ethyl]butanamide?
The IUPAC name of 3-amino-N-[2-(N-methylanilino)ethyl]butanamide (CID 61258847) is 3-amino-N-[2-(N-methylanilino)ethyl]butanamide.
What is the SMILES notation for 3-amino-N-[2-(N-methylanilino)ethyl]butanamide?
The canonical SMILES for 3-amino-N-[2-(N-methylanilino)ethyl]butanamide is CC(N)CC(=O)NCCN(C)c1ccccc1.
What is the InChIKey of 3-amino-N-[2-(N-methylanilino)ethyl]butanamide?
The InChIKey is XZUSXTFGRUGAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-11(14)10-13(17)15-8-9-16(2)12-6-4-3-5-7-12/h3-7,11H,8-10,14H2,1-2H3,(H,15,17).
What are the key properties of 3-amino-N-[2-(N-methylanilino)ethyl]butanamide?
3-amino-N-[2-(N-methylanilino)ethyl]butanamide has a molecular weight of 235.33 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(N-methylanilino)ethyl]butanamide is sourced from PubChem (CID 61258847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).