4-amino-3-methoxy-N-(4-methyl-4-phenylpentan-2-yl)butanamide;hydrochloride

C17H29ClN2O2 — CID 120590624

IUPAC4-amino-3-methoxy-N-(4-methyl-4-phenylpentan-2-yl)butanamide;hydrochloride
SMILESCOC(CN)CC(=O)NC(C)CC(C)(C)c1ccccc1.Cl
InChIInChI=1S/C17H28N2O2.ClH/c1-13(19-16(20)10-15(12-18)21-4)11-17(2,3)14-8-6-5-7-9-14;/h5-9,13,15H,10-12,18H2,1-4H3,(H,19,20);1H
InChIKeyADVUDSAYTROYCD-UHFFFAOYSA-N
MW328.88 g/mol
LogP2.64
Rot. Bonds8

About 4-amino-3-methoxy-N-(4-methyl-4-phenylpentan-2-yl)butanamide;hydrochloride

4-amino-3-methoxy-N-(4-methyl-4-phenylpentan-2-yl)butanamide;hydrochloride (PubChem CID 120590624) has the molecular formula C17H29ClN2O2 and a molecular weight of 328.88 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-(4-methyl-4-phenylpentan-2-yl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-3-methoxy-N-(4-methyl-4-phenylpentan-2-yl)butanamide;hydrochloride
PubChem CID120590624
Molecular FormulaC17H29ClN2O2
Molecular Weight328.88 g/mol
Exact Mass328.19
IUPAC Name4-amino-3-methoxy-N-(4-methyl-4-phenylpentan-2-yl)butanamide;hydrochloride
SMILESCOC(CN)CC(=O)NC(C)CC(C)(C)c1ccccc1.Cl
InChIInChI=1S/C17H28N2O2.ClH/c1-13(19-16(20)10-15(12-18)21-4)11-17(2,3)14-8-6-5-7-9-14;/h5-9,13,15H,10-12,18H2,1-4H3,(H,19,20);1H
InChIKeyADVUDSAYTROYCD-UHFFFAOYSA-N
XLogP2.64
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.88
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-N-(4-methyl-4-phenylpentan-2-yl)acetamide
CID 119755775
methyl (2S)-2-[(4-methyl-4-phenylpentan-2-yl)amino]propanoate
CID 43786736
N-[(2R)-4-methyl-4-phenylpentan-2-yl]cyclopropanecarboxamide
CID 95376601
methyl 2-[(4-methyl-4-phenylpentan-2-yl)amino]propanoate
CID 60781932
4-amino-3-methoxy-N-(3-methyl-1-phenylbutyl)butanamide
CID 103154671
3-amino-N-(4-methoxy-4-methylpentan-2-yl)-3-phenylpropanamide;hydrochloride
CID 119952044
methyl 4-[(4-amino-3-methoxybutanoyl)amino]-4-phenylbutanoate
CID 120591892
4-amino-N-[4-(4-bromophenyl)butan-2-yl]-3-methoxybutanamide;hydrochloride
CID 120590154
4-amino-N-[(4-fluorophenyl)-phenylmethyl]-3-methoxybutanamide;hydrochloride
CID 120588465
4-amino-3-methoxy-N-(2,2,6-trimethylheptan-3-yl)butanamide;hydrochloride
CID 120592370
2-methyl-3-(methylamino)-N-(4-methyl-4-phenylpentan-2-yl)propanamide
CID 119755787
(2S)-2-amino-N-(4-methyl-4-phenylpentan-2-yl)-4-methylsulfanylbutanamide;hydrochloride
CID 119307411

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-(4-methyl-4-phenylpentan-2-yl)butanamide;hydrochloride?
The IUPAC name of 4-amino-3-methoxy-N-(4-methyl-4-phenylpentan-2-yl)butanamide;hydrochloride (CID 120590624) is 4-amino-3-methoxy-N-(4-methyl-4-phenylpentan-2-yl)butanamide;hydrochloride.
What is the SMILES notation for 4-amino-3-methoxy-N-(4-methyl-4-phenylpentan-2-yl)butanamide;hydrochloride?
The canonical SMILES for 4-amino-3-methoxy-N-(4-methyl-4-phenylpentan-2-yl)butanamide;hydrochloride is COC(CN)CC(=O)NC(C)CC(C)(C)c1ccccc1.Cl.
What is the InChIKey of 4-amino-3-methoxy-N-(4-methyl-4-phenylpentan-2-yl)butanamide;hydrochloride?
The InChIKey is ADVUDSAYTROYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2.ClH/c1-13(19-16(20)10-15(12-18)21-4)11-17(2,3)14-8-6-5-7-9-14;/h5-9,13,15H,10-12,18H2,1-4H3,(H,19,20);1H.
What are the key properties of 4-amino-3-methoxy-N-(4-methyl-4-phenylpentan-2-yl)butanamide;hydrochloride?
4-amino-3-methoxy-N-(4-methyl-4-phenylpentan-2-yl)butanamide;hydrochloride has a molecular weight of 328.88 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-(4-methyl-4-phenylpentan-2-yl)butanamide;hydrochloride is sourced from PubChem (CID 120590624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).