3-amino-2-methyl-N-[3-(oxan-4-ylmethoxy)propyl]-3-phenylpropanamide;hydrochloride

C19H31ClN2O3 — CID 119800003

IUPAC3-amino-2-methyl-N-[3-(oxan-4-ylmethoxy)propyl]-3-phenylpropanamide;hydrochloride
SMILESCC(C(=O)NCCCOCC1CCOCC1)C(N)c1ccccc1.Cl
InChIInChI=1S/C19H30N2O3.ClH/c1-15(18(20)17-6-3-2-4-7-17)19(22)21-10-5-11-24-14-16-8-12-23-13-9-16;/h2-4,6-7,15-16,18H,5,8-14,20H2,1H3,(H,21,22);1H
InChIKeyHNNCSBZBICSQDN-UHFFFAOYSA-N
MW370.92 g/mol
LogP2.69
Rot. Bonds9

About 3-amino-2-methyl-N-[3-(oxan-4-ylmethoxy)propyl]-3-phenylpropanamide;hydrochloride

3-amino-2-methyl-N-[3-(oxan-4-ylmethoxy)propyl]-3-phenylpropanamide;hydrochloride (PubChem CID 119800003) has the molecular formula C19H31ClN2O3 and a molecular weight of 370.92 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[3-(oxan-4-ylmethoxy)propyl]-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-2-methyl-N-[3-(oxan-4-ylmethoxy)propyl]-3-phenylpropanamide;hydrochloride
PubChem CID119800003
Molecular FormulaC19H31ClN2O3
Molecular Weight370.92 g/mol
Exact Mass370.20
IUPAC Name3-amino-2-methyl-N-[3-(oxan-4-ylmethoxy)propyl]-3-phenylpropanamide;hydrochloride
SMILESCC(C(=O)NCCCOCC1CCOCC1)C(N)c1ccccc1.Cl
InChIInChI=1S/C19H30N2O3.ClH/c1-15(18(20)17-6-3-2-4-7-17)19(22)21-10-5-11-24-14-16-8-12-23-13-9-16;/h2-4,6-7,15-16,18H,5,8-14,20H2,1H3,(H,21,22);1H
InChIKeyHNNCSBZBICSQDN-UHFFFAOYSA-N
XLogP2.69
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.92
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(oxolan-3-yloxy)propyl]-3-phenylpropanamide
CID 119812709
3-amino-2-methyl-N-[3-(2-methylpropoxy)propyl]-3-phenylpropanamide;hydrochloride
CID 119693609
(2S)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-phenylacetamide
CID 93093422
3-amino-2-methyl-N-(oxolan-3-ylmethyl)-3-phenylpropanamide;hydrochloride
CID 119716804
3-amino-N-(3-butoxypropyl)-2-methyl-3-phenylpropanamide
CID 115737917
3-amino-2-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]butanamide;hydrochloride
CID 120501461
3-amino-N-(4-methoxybutyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119722375
2-amino-N-[2-(oxan-4-yl)ethyl]-2-phenylacetamide;hydrochloride
CID 119290193
N-(3-acetamidopropyl)-3-amino-2-methyl-3-phenylpropanamide;hydrochloride
CID 119725929
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-N-(5-hydroxypentyl)-2-methyl-3-phenylpropanamide
CID 107317767

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[3-(oxan-4-ylmethoxy)propyl]-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-2-methyl-N-[3-(oxan-4-ylmethoxy)propyl]-3-phenylpropanamide;hydrochloride (CID 119800003) is 3-amino-2-methyl-N-[3-(oxan-4-ylmethoxy)propyl]-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-2-methyl-N-[3-(oxan-4-ylmethoxy)propyl]-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-2-methyl-N-[3-(oxan-4-ylmethoxy)propyl]-3-phenylpropanamide;hydrochloride is CC(C(=O)NCCCOCC1CCOCC1)C(N)c1ccccc1.Cl.
What is the InChIKey of 3-amino-2-methyl-N-[3-(oxan-4-ylmethoxy)propyl]-3-phenylpropanamide;hydrochloride?
The InChIKey is HNNCSBZBICSQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3.ClH/c1-15(18(20)17-6-3-2-4-7-17)19(22)21-10-5-11-24-14-16-8-12-23-13-9-16;/h2-4,6-7,15-16,18H,5,8-14,20H2,1H3,(H,21,22);1H.
What are the key properties of 3-amino-2-methyl-N-[3-(oxan-4-ylmethoxy)propyl]-3-phenylpropanamide;hydrochloride?
3-amino-2-methyl-N-[3-(oxan-4-ylmethoxy)propyl]-3-phenylpropanamide;hydrochloride has a molecular weight of 370.92 g/mol, XLogP of 2.69, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[3-(oxan-4-ylmethoxy)propyl]-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119800003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).