2-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-3-methoxypropanamide;hydrochloride

C16H27ClN2O3 — CID 120992363

IUPAC2-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-3-methoxypropanamide;hydrochloride
SMILESCCC(C)Oc1cc(C)ccc1CNC(=O)C(N)COC.Cl
InChIInChI=1S/C16H26N2O3.ClH/c1-5-12(3)21-15-8-11(2)6-7-13(15)9-18-16(19)14(17)10-20-4;/h6-8,12,14H,5,9-10,17H2,1-4H3,(H,18,19);1H
InChIKeyPSUHIOYDJRZNFA-UHFFFAOYSA-N
MW330.86 g/mol
LogP2.18
Rot. Bonds8

About 2-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-3-methoxypropanamide;hydrochloride

2-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-3-methoxypropanamide;hydrochloride (PubChem CID 120992363) has the molecular formula C16H27ClN2O3 and a molecular weight of 330.86 g/mol. Its IUPAC name is 2-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-3-methoxypropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-3-methoxypropanamide;hydrochloride
PubChem CID120992363
Molecular FormulaC16H27ClN2O3
Molecular Weight330.86 g/mol
Exact Mass330.17
IUPAC Name2-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-3-methoxypropanamide;hydrochloride
SMILESCCC(C)Oc1cc(C)ccc1CNC(=O)C(N)COC.Cl
InChIInChI=1S/C16H26N2O3.ClH/c1-5-12(3)21-15-8-11(2)6-7-13(15)9-18-16(19)14(17)10-20-4;/h6-8,12,14H,5,9-10,17H2,1-4H3,(H,18,19);1H
InChIKeyPSUHIOYDJRZNFA-UHFFFAOYSA-N
XLogP2.18
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-3-methoxypropanamide;hydrochloride 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-amino-3-methoxy-N-[(2-methoxy-4-methylphenyl)methyl]propanamide
CID 120992441
2-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-4-methylsulfonylbutanamide;hydrochloride
CID 119957690
(2S)-2-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-4-methylsulfanylbutanamide
CID 119339563
4-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]pentanamide
CID 120563702
2-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-2-(oxan-4-yl)acetamide
CID 120795636
(2S)-2-amino-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-4-methylpentanamide
CID 119811330
2-amino-3-methoxy-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]propanamide
CID 120992488
4-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]butanamide
CID 119339581
3-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119811561
2-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]-3-methoxypropanamide;hydrochloride
CID 120992652
N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-2-hydroxycyclopentane-1-carboxamide
CID 110016193
N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-2-(cyclopropylmethylamino)acetamide
CID 119811574

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-3-methoxypropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-3-methoxypropanamide;hydrochloride (CID 120992363) is 2-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-3-methoxypropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-3-methoxypropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-3-methoxypropanamide;hydrochloride is CCC(C)Oc1cc(C)ccc1CNC(=O)C(N)COC.Cl.
What is the InChIKey of 2-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-3-methoxypropanamide;hydrochloride?
The InChIKey is PSUHIOYDJRZNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3.ClH/c1-5-12(3)21-15-8-11(2)6-7-13(15)9-18-16(19)14(17)10-20-4;/h6-8,12,14H,5,9-10,17H2,1-4H3,(H,18,19);1H.
What are the key properties of 2-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-3-methoxypropanamide;hydrochloride?
2-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-3-methoxypropanamide;hydrochloride has a molecular weight of 330.86 g/mol, XLogP of 2.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-3-methoxypropanamide;hydrochloride is sourced from PubChem (CID 120992363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).