3-amino-N-(3-butoxypropyl)-2-methyl-3-phenylpropanamide

C17H28N2O2 — CID 115737917

IUPAC3-amino-N-(3-butoxypropyl)-2-methyl-3-phenylpropanamide
SMILESCCCCOCCCNC(=O)C(C)C(N)c1ccccc1
InChIInChI=1S/C17H28N2O2/c1-3-4-12-21-13-8-11-19-17(20)14(2)16(18)15-9-6-5-7-10-15/h5-7,9-10,14,16H,3-4,8,11-13,18H2,1-2H3,(H,19,20)
InChIKeyINGNVUITHZTWEU-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.65
Rot. Bonds10

About 3-amino-N-(3-butoxypropyl)-2-methyl-3-phenylpropanamide

3-amino-N-(3-butoxypropyl)-2-methyl-3-phenylpropanamide (PubChem CID 115737917) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 3-amino-N-(3-butoxypropyl)-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-(3-butoxypropyl)-2-methyl-3-phenylpropanamide
PubChem CID115737917
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name3-amino-N-(3-butoxypropyl)-2-methyl-3-phenylpropanamide
SMILESCCCCOCCCNC(=O)C(C)C(N)c1ccccc1
InChIInChI=1S/C17H28N2O2/c1-3-4-12-21-13-8-11-19-17(20)14(2)16(18)15-9-6-5-7-10-15/h5-7,9-10,14,16H,3-4,8,11-13,18H2,1-2H3,(H,19,20)
InChIKeyINGNVUITHZTWEU-UHFFFAOYSA-N
XLogP2.65
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.65
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

3-amino-2-methyl-N-[3-(2-methylpropoxy)propyl]-3-phenylpropanamide;hydrochloride
CID 119693609
3-amino-N-(4-methoxybutyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119722375
3-amino-2-methyl-N-[3-(2-methylphenoxy)propyl]-3-phenylpropanamide
CID 119772263
4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]butanoic acid
CID 80552213
3-amino-2-methyl-N-[3-(oxan-4-ylmethoxy)propyl]-3-phenylpropanamide;hydrochloride
CID 119800003
N-(3-acetamidopropyl)-3-amino-2-methyl-3-phenylpropanamide;hydrochloride
CID 119725929
3-amino-N-(5-hydroxypentyl)-2-methyl-3-phenylpropanamide
CID 107317767
3-amino-N-(2-but-3-enoxyethyl)-2-methyl-3-phenylpropanamide
CID 106398232
methyl 6-[(3-amino-2-methyl-3-phenylpropanoyl)amino]hexanoate
CID 119686216
3-amino-N-(1-methoxyhexan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119795706
3-amino-N-(5,5-dimethylhexyl)-2-methyl-3-phenylpropanamide
CID 119775743
3-amino-2-methyl-N-[3-(oxolan-3-yloxy)propyl]-3-phenylpropanamide
CID 119812709

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-butoxypropyl)-2-methyl-3-phenylpropanamide?
The IUPAC name of 3-amino-N-(3-butoxypropyl)-2-methyl-3-phenylpropanamide (CID 115737917) is 3-amino-N-(3-butoxypropyl)-2-methyl-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-(3-butoxypropyl)-2-methyl-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-(3-butoxypropyl)-2-methyl-3-phenylpropanamide is CCCCOCCCNC(=O)C(C)C(N)c1ccccc1.
What is the InChIKey of 3-amino-N-(3-butoxypropyl)-2-methyl-3-phenylpropanamide?
The InChIKey is INGNVUITHZTWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-3-4-12-21-13-8-11-19-17(20)14(2)16(18)15-9-6-5-7-10-15/h5-7,9-10,14,16H,3-4,8,11-13,18H2,1-2H3,(H,19,20).
What are the key properties of 3-amino-N-(3-butoxypropyl)-2-methyl-3-phenylpropanamide?
3-amino-N-(3-butoxypropyl)-2-methyl-3-phenylpropanamide has a molecular weight of 292.42 g/mol, XLogP of 2.65, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-butoxypropyl)-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 115737917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).