2-[N-(3-aminopropyl)-3-methylanilino]-N-tert-butylpropanamide

C17H29N3O — CID 43136095

IUPAC2-[N-(3-aminopropyl)-3-methylanilino]-N-tert-butylpropanamide
SMILESCc1cccc(N(CCCN)C(C)C(=O)NC(C)(C)C)c1
InChIInChI=1S/C17H29N3O/c1-13-8-6-9-15(12-13)20(11-7-10-18)14(2)16(21)19-17(3,4)5/h6,8-9,12,14H,7,10-11,18H2,1-5H3,(H,19,21)
InChIKeyPNSYQQKIEZIBTG-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.45
Rot. Bonds6

About 2-[N-(3-aminopropyl)-3-methylanilino]-N-tert-butylpropanamide

2-[N-(3-aminopropyl)-3-methylanilino]-N-tert-butylpropanamide (PubChem CID 43136095) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[N-(3-aminopropyl)-3-methylanilino]-N-tert-butylpropanamide.

Molecular Properties

Compound Name2-[N-(3-aminopropyl)-3-methylanilino]-N-tert-butylpropanamide
PubChem CID43136095
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-[N-(3-aminopropyl)-3-methylanilino]-N-tert-butylpropanamide
SMILESCc1cccc(N(CCCN)C(C)C(=O)NC(C)(C)C)c1
InChIInChI=1S/C17H29N3O/c1-13-8-6-9-15(12-13)20(11-7-10-18)14(2)16(21)19-17(3,4)5/h6,8-9,12,14H,7,10-11,18H2,1-5H3,(H,19,21)
InChIKeyPNSYQQKIEZIBTG-UHFFFAOYSA-N
XLogP2.45
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[N-(3-aminopropyl)-3-methylanilino]-N-tert-butylpropanamide 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

2-[3-aminopropyl(methyl)amino]-N-tert-butylpropanamide
CID 43116493
2-[N-(3-aminopropyl)-3-fluoroanilino]-N-ethylpropanamide
CID 43319058
N-(3-aminopropyl)-2,2-dimethyl-N-(3-methylphenyl)propanamide
CID 28766915
N-(3-aminopropyl)-2,2-dimethyl-N-(3-methylphenyl)butanamide
CID 62677230
2-[N-(3-aminopropyl)-4-methylanilino]-N-butan-2-ylpropanamide
CID 43318758
2-[2-aminoethyl(methyl)amino]-N-tert-butylpropanamide
CID 61348533
N-tert-butyl-2-[[2-(3-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]propanamide
CID 132702925
N-tert-butyl-2-[(2-fluorophenyl)methyl-[2-(3-methyl-N-methylsulfonylanilino)acetyl]amino]propanamide
CID 133145579
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-[(3-methylphenyl)methyl]-4-(N-methylsulfonylanilino)butanamide
CID 132985684
N-tert-butyl-2-[[2-(3-methylphenyl)acetyl]-(2-phenylethyl)amino]propanamide
CID 132702923
(2S)-N-tert-butyl-2-[(S)-(3-methylphenyl)methylsulfinyl]propanamide
CID 95278864
N-tert-butyl-5-(N-ethyl-3-methylanilino)pyridine-2-carboxamide
CID 109195162

Frequently Asked Questions

What is the IUPAC name of 2-[N-(3-aminopropyl)-3-methylanilino]-N-tert-butylpropanamide?
The IUPAC name of 2-[N-(3-aminopropyl)-3-methylanilino]-N-tert-butylpropanamide (CID 43136095) is 2-[N-(3-aminopropyl)-3-methylanilino]-N-tert-butylpropanamide.
What is the SMILES notation for 2-[N-(3-aminopropyl)-3-methylanilino]-N-tert-butylpropanamide?
The canonical SMILES for 2-[N-(3-aminopropyl)-3-methylanilino]-N-tert-butylpropanamide is Cc1cccc(N(CCCN)C(C)C(=O)NC(C)(C)C)c1.
What is the InChIKey of 2-[N-(3-aminopropyl)-3-methylanilino]-N-tert-butylpropanamide?
The InChIKey is PNSYQQKIEZIBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-13-8-6-9-15(12-13)20(11-7-10-18)14(2)16(21)19-17(3,4)5/h6,8-9,12,14H,7,10-11,18H2,1-5H3,(H,19,21).
What are the key properties of 2-[N-(3-aminopropyl)-3-methylanilino]-N-tert-butylpropanamide?
2-[N-(3-aminopropyl)-3-methylanilino]-N-tert-butylpropanamide has a molecular weight of 291.44 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(3-aminopropyl)-3-methylanilino]-N-tert-butylpropanamide is sourced from PubChem (CID 43136095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).