4-amino-N-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propan-2-ylbutanamide;hydrochloride

C21H29ClN2O2 — CID 119334370

IUPAC4-amino-N-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propan-2-ylbutanamide;hydrochloride
SMILESCOc1ccccc1-c1ccc(CN(C(=O)CCCN)C(C)C)cc1.Cl
InChIInChI=1S/C21H28N2O2.ClH/c1-16(2)23(21(24)9-6-14-22)15-17-10-12-18(13-11-17)19-7-4-5-8-20(19)25-3;/h4-5,7-8,10-13,16H,6,9,14-15,22H2,1-3H3;1H
InChIKeyUSDLVVKYHZISJC-UHFFFAOYSA-N
MW376.93 g/mol
LogP4.26
Rot. Bonds8

About 4-amino-N-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propan-2-ylbutanamide;hydrochloride

4-amino-N-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propan-2-ylbutanamide;hydrochloride (PubChem CID 119334370) has the molecular formula C21H29ClN2O2 and a molecular weight of 376.93 g/mol. Its IUPAC name is 4-amino-N-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propan-2-ylbutanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propan-2-ylbutanamide;hydrochloride
PubChem CID119334370
Molecular FormulaC21H29ClN2O2
Molecular Weight376.93 g/mol
Exact Mass376.19
IUPAC Name4-amino-N-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propan-2-ylbutanamide;hydrochloride
SMILESCOc1ccccc1-c1ccc(CN(C(=O)CCCN)C(C)C)cc1.Cl
InChIInChI=1S/C21H28N2O2.ClH/c1-16(2)23(21(24)9-6-14-22)15-17-10-12-18(13-11-17)19-7-4-5-8-20(19)25-3;/h4-5,7-8,10-13,16H,6,9,14-15,22H2,1-3H3;1H
InChIKeyUSDLVVKYHZISJC-UHFFFAOYSA-N
XLogP4.26
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.93
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-amino-N-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propan-2-ylbutanamide;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-(2-methoxyethylamino)-N-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propan-2-ylacetamide
CID 119802464
(2S,5R)-5-(aminomethyl)-N-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propan-2-yloxolane-2-carboxamide
CID 120794830
3-amino-N-[(4-methylphenyl)methyl]-N-propan-2-ylpropanamide
CID 92930297
2-(aminomethyl)-N-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 119802458
4-amino-N-benzyl-N-(1-cyclopropylethyl)butanamide;hydrochloride
CID 119265829
N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methyl-4-(methylamino)butanamide;hydrochloride
CID 119802421
methyl (2R)-2-[[4-(2-cyanophenyl)phenyl]methyl-pentanoylamino]-3-methylbutanoate
CID 66577388
N-benzyl-4-(2-ethoxyphenoxy)-N-propan-2-ylbutanamide
CID 55377741
3-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-propan-2-ylpropanamide
CID 39363585
7-amino-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]heptanamide
CID 119802470
methyl 2-[[4-[2-[(Z)-C-aminocarbonohydrazonoyl]phenyl]phenyl]methyl-pentanoylamino]-3-methylbutanoate
CID 144597321
3-[4-(2-methoxyphenyl)phenyl]-2-methylpropanoic acid
CID 70029206

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propan-2-ylbutanamide;hydrochloride?
The IUPAC name of 4-amino-N-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propan-2-ylbutanamide;hydrochloride (CID 119334370) is 4-amino-N-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propan-2-ylbutanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propan-2-ylbutanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propan-2-ylbutanamide;hydrochloride is COc1ccccc1-c1ccc(CN(C(=O)CCCN)C(C)C)cc1.Cl.
What is the InChIKey of 4-amino-N-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propan-2-ylbutanamide;hydrochloride?
The InChIKey is USDLVVKYHZISJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2.ClH/c1-16(2)23(21(24)9-6-14-22)15-17-10-12-18(13-11-17)19-7-4-5-8-20(19)25-3;/h4-5,7-8,10-13,16H,6,9,14-15,22H2,1-3H3;1H.
What are the key properties of 4-amino-N-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propan-2-ylbutanamide;hydrochloride?
4-amino-N-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propan-2-ylbutanamide;hydrochloride has a molecular weight of 376.93 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propan-2-ylbutanamide;hydrochloride is sourced from PubChem (CID 119334370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).