(2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-3,3-dimethylbutanamide;dihydrochloride

C18H31Cl2N3O2 — CID 119829877

IUPAC(2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-3,3-dimethylbutanamide;dihydrochloride
SMILESCC(C)(C)[C@H](N)C(=O)NCC1CN(Cc2ccccc2)CCO1.Cl.Cl
InChIInChI=1S/C18H29N3O2.2ClH/c1-18(2,3)16(19)17(22)20-11-15-13-21(9-10-23-15)12-14-7-5-4-6-8-14;;/h4-8,15-16H,9-13,19H2,1-3H3,(H,20,22);2*1H/t15?,16-;;/m1../s1
InChIKeyHQSFITIGXWFWAI-VKJSWWLDSA-N
MW392.37 g/mol
LogP2.22
Rot. Bonds5

About (2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-3,3-dimethylbutanamide;dihydrochloride

(2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-3,3-dimethylbutanamide;dihydrochloride (PubChem CID 119829877) has the molecular formula C18H31Cl2N3O2 and a molecular weight of 392.37 g/mol. Its IUPAC name is (2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-3,3-dimethylbutanamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-3,3-dimethylbutanamide;dihydrochloride
PubChem CID119829877
Molecular FormulaC18H31Cl2N3O2
Molecular Weight392.37 g/mol
Exact Mass391.18
IUPAC Name(2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-3,3-dimethylbutanamide;dihydrochloride
SMILESCC(C)(C)[C@H](N)C(=O)NCC1CN(Cc2ccccc2)CCO1.Cl.Cl
InChIInChI=1S/C18H29N3O2.2ClH/c1-18(2,3)16(19)17(22)20-11-15-13-21(9-10-23-15)12-14-7-5-4-6-8-14;;/h4-8,15-16H,9-13,19H2,1-3H3,(H,20,22);2*1H/t15?,16-;;/m1../s1
InChIKeyHQSFITIGXWFWAI-VKJSWWLDSA-N
XLogP2.22
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.37
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-3,3-dimethylbutanamide;dihydrochloride 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

(2R)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]propanamide
CID 119829876
(2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]propanamide
CID 119829898
(2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-3-phenylpropanamide
CID 119829842
2-amino-N-[(4-benzylmorpholin-2-yl)methyl]butanediamide;dihydrochloride
CID 119957852
2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-2-phenylacetamide
CID 119829814
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2,2-diphenylacetamide
CID 8504076
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
N-[(4-benzylmorpholin-2-yl)methyl]-3-methylbutanamide
CID 134057519
2-anilino-N-[(4-benzylmorpholin-2-yl)methyl]acetamide;dihydrochloride
CID 119829861
N-[(4-benzylmorpholin-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide
CID 43008733
1-acetyl-N-[(4-benzylmorpholin-2-yl)methyl]piperidine-4-carboxamide
CID 43022671
(2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)-3,3-dimethylbutanamide;dihydrochloride
CID 119831710

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-3,3-dimethylbutanamide;dihydrochloride?
The IUPAC name of (2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-3,3-dimethylbutanamide;dihydrochloride (CID 119829877) is (2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-3,3-dimethylbutanamide;dihydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-3,3-dimethylbutanamide;dihydrochloride?
The canonical SMILES for (2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-3,3-dimethylbutanamide;dihydrochloride is CC(C)(C)[C@H](N)C(=O)NCC1CN(Cc2ccccc2)CCO1.Cl.Cl.
What is the InChIKey of (2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-3,3-dimethylbutanamide;dihydrochloride?
The InChIKey is HQSFITIGXWFWAI-VKJSWWLDSA-N. The full InChI is InChI=1S/C18H29N3O2.2ClH/c1-18(2,3)16(19)17(22)20-11-15-13-21(9-10-23-15)12-14-7-5-4-6-8-14;;/h4-8,15-16H,9-13,19H2,1-3H3,(H,20,22);2*1H/t15?,16-;;/m1../s1.
What are the key properties of (2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-3,3-dimethylbutanamide;dihydrochloride?
(2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-3,3-dimethylbutanamide;dihydrochloride has a molecular weight of 392.37 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-3,3-dimethylbutanamide;dihydrochloride is sourced from PubChem (CID 119829877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).