2-amino-N-[3-(N-methylanilino)propyl]butanediamide

C14H22N4O2 — CID 60848085

IUPAC2-amino-N-[3-(N-methylanilino)propyl]butanediamide
SMILESCN(CCCNC(=O)C(N)CC(N)=O)c1ccccc1
InChIInChI=1S/C14H22N4O2/c1-18(11-6-3-2-4-7-11)9-5-8-17-14(20)12(15)10-13(16)19/h2-4,6-7,12H,5,8-10,15H2,1H3,(H2,16,19)(H,17,20)
InChIKeyPWPIADWORSRGGZ-UHFFFAOYSA-N
MW278.36 g/mol
LogP-0.17
Rot. Bonds8

About 2-amino-N-[3-(N-methylanilino)propyl]butanediamide

2-amino-N-[3-(N-methylanilino)propyl]butanediamide (PubChem CID 60848085) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-amino-N-[3-(N-methylanilino)propyl]butanediamide.

Molecular Properties

Compound Name2-amino-N-[3-(N-methylanilino)propyl]butanediamide
PubChem CID60848085
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-amino-N-[3-(N-methylanilino)propyl]butanediamide
SMILESCN(CCCNC(=O)C(N)CC(N)=O)c1ccccc1
InChIInChI=1S/C14H22N4O2/c1-18(11-6-3-2-4-7-11)9-5-8-17-14(20)12(15)10-13(16)19/h2-4,6-7,12H,5,8-10,15H2,1H3,(H2,16,19)(H,17,20)
InChIKeyPWPIADWORSRGGZ-UHFFFAOYSA-N
XLogP-0.17
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-N-[3-(N-methylanilino)propyl]butanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-[3-(N-methylanilino)propyl]butanamide
CID 60835666
2-amino-4-methoxy-N-[3-(N-methylanilino)propyl]butanamide
CID 62475149
(2R)-2-amino-N-[3-(N-methylanilino)propyl]-4-methylsulfanylbutanamide
CID 104906752
(2S)-2-amino-N-[2-(N-methylanilino)ethyl]hexanamide
CID 103831929
N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
3-amino-N-[2-(N-methylanilino)ethyl]butanamide
CID 61258847
2-(2-amino-2-oxoethyl)sulfanyl-N-[3-(N-methylanilino)propyl]benzamide
CID 37315858
(2R)-2-amino-N-[2-(N-methylanilino)ethyl]-4-methylsulfanylbutanamide
CID 104908153
2-[methyl-[3-(N-methylanilino)propylcarbamoyl]amino]acetic acid
CID 43135762
2-methyl-N-[3-(N-methylanilino)propyl]prop-2-enamide
CID 154634175
3-amino-3-methyl-N-[3-(N-methylanilino)propyl]butanamide
CID 64685522
1-benzyl-3-[3-(N-methylanilino)propyl]urea
CID 3497237

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(N-methylanilino)propyl]butanediamide?
The IUPAC name of 2-amino-N-[3-(N-methylanilino)propyl]butanediamide (CID 60848085) is 2-amino-N-[3-(N-methylanilino)propyl]butanediamide.
What is the SMILES notation for 2-amino-N-[3-(N-methylanilino)propyl]butanediamide?
The canonical SMILES for 2-amino-N-[3-(N-methylanilino)propyl]butanediamide is CN(CCCNC(=O)C(N)CC(N)=O)c1ccccc1.
What is the InChIKey of 2-amino-N-[3-(N-methylanilino)propyl]butanediamide?
The InChIKey is PWPIADWORSRGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-18(11-6-3-2-4-7-11)9-5-8-17-14(20)12(15)10-13(16)19/h2-4,6-7,12H,5,8-10,15H2,1H3,(H2,16,19)(H,17,20).
What are the key properties of 2-amino-N-[3-(N-methylanilino)propyl]butanediamide?
2-amino-N-[3-(N-methylanilino)propyl]butanediamide has a molecular weight of 278.36 g/mol, XLogP of -0.17, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(N-methylanilino)propyl]butanediamide is sourced from PubChem (CID 60848085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).