(2S)-2-amino-3,3-dimethyl-N-(4-morpholin-4-ylbutyl)butanamide;dihydrochloride

C14H31Cl2N3O2 — CID 119852486

IUPAC(2S)-2-amino-3,3-dimethyl-N-(4-morpholin-4-ylbutyl)butanamide;dihydrochloride
SMILESCC(C)(C)[C@H](N)C(=O)NCCCCN1CCOCC1.Cl.Cl
InChIInChI=1S/C14H29N3O2.2ClH/c1-14(2,3)12(15)13(18)16-6-4-5-7-17-8-10-19-11-9-17;;/h12H,4-11,15H2,1-3H3,(H,16,18);2*1H/t12-;;/m1../s1
InChIKeyLDXXDMSGDRDVOQ-CURYUGHLSA-N
MW344.33 g/mol
LogP1.43
Rot. Bonds6

About (2S)-2-amino-3,3-dimethyl-N-(4-morpholin-4-ylbutyl)butanamide;dihydrochloride

(2S)-2-amino-3,3-dimethyl-N-(4-morpholin-4-ylbutyl)butanamide;dihydrochloride (PubChem CID 119852486) has the molecular formula C14H31Cl2N3O2 and a molecular weight of 344.33 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-N-(4-morpholin-4-ylbutyl)butanamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-N-(4-morpholin-4-ylbutyl)butanamide;dihydrochloride
PubChem CID119852486
Molecular FormulaC14H31Cl2N3O2
Molecular Weight344.33 g/mol
Exact Mass343.18
IUPAC Name(2S)-2-amino-3,3-dimethyl-N-(4-morpholin-4-ylbutyl)butanamide;dihydrochloride
SMILESCC(C)(C)[C@H](N)C(=O)NCCCCN1CCOCC1.Cl.Cl
InChIInChI=1S/C14H29N3O2.2ClH/c1-14(2,3)12(15)13(18)16-6-4-5-7-17-8-10-19-11-9-17;;/h12H,4-11,15H2,1-3H3,(H,16,18);2*1H/t12-;;/m1../s1
InChIKeyLDXXDMSGDRDVOQ-CURYUGHLSA-N
XLogP1.43
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 51.43
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

(2R)-2-amino-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide
CID 83300699
(2R)-2-amino-3,3-dimethyl-N-(3-piperidin-1-ylpropyl)butanamide
CID 103928449
(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide;dihydrochloride
CID 119827262
5-amino-6,6-dimethyl-1-morpholin-4-ylheptan-4-one
CID 58441848
2-amino-3-methoxy-N-(3-morpholin-4-ylpropyl)propanamide
CID 81081646
(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide
CID 61148304
(2S)-2-amino-3,3-dimethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]butanamide
CID 119902156
(2S)-2-amino-3,3-dimethyl-N-[4-(3-methylpiperidin-1-yl)butyl]butanamide;dihydrochloride
CID 119852698
(2S)-2-amino-N-(3-morpholin-4-ylpropyl)hexanamide
CID 93339966
2-amino-N-(2-morpholin-4-ylethyl)propanamide;dihydrochloride
CID 119827782
(2S)-2-amino-3,3-dimethyl-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]butanamide;dihydrochloride
CID 119896471
(2S)-2-amino-3,3-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]butanamide
CID 119901943

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-N-(4-morpholin-4-ylbutyl)butanamide;dihydrochloride?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-N-(4-morpholin-4-ylbutyl)butanamide;dihydrochloride (CID 119852486) is (2S)-2-amino-3,3-dimethyl-N-(4-morpholin-4-ylbutyl)butanamide;dihydrochloride.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-N-(4-morpholin-4-ylbutyl)butanamide;dihydrochloride?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-N-(4-morpholin-4-ylbutyl)butanamide;dihydrochloride is CC(C)(C)[C@H](N)C(=O)NCCCCN1CCOCC1.Cl.Cl.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-N-(4-morpholin-4-ylbutyl)butanamide;dihydrochloride?
The InChIKey is LDXXDMSGDRDVOQ-CURYUGHLSA-N. The full InChI is InChI=1S/C14H29N3O2.2ClH/c1-14(2,3)12(15)13(18)16-6-4-5-7-17-8-10-19-11-9-17;;/h12H,4-11,15H2,1-3H3,(H,16,18);2*1H/t12-;;/m1../s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-N-(4-morpholin-4-ylbutyl)butanamide;dihydrochloride?
(2S)-2-amino-3,3-dimethyl-N-(4-morpholin-4-ylbutyl)butanamide;dihydrochloride has a molecular weight of 344.33 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-dimethyl-N-(4-morpholin-4-ylbutyl)butanamide;dihydrochloride is sourced from PubChem (CID 119852486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).