4-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]pentanamide;dihydrochloride

C18H31Cl2N3O2 — CID 120564908

IUPAC4-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]pentanamide;dihydrochloride
SMILESCc1ccc(C(CNC(=O)CCC(C)N)N2CCOCC2)cc1.Cl.Cl
InChIInChI=1S/C18H29N3O2.2ClH/c1-14-3-6-16(7-4-14)17(21-9-11-23-12-10-21)13-20-18(22)8-5-15(2)19;;/h3-4,6-7,15,17H,5,8-13,19H2,1-2H3,(H,20,22);2*1H
InChIKeyTUTDNOPKDFEHJO-UHFFFAOYSA-N
MW392.37 g/mol
LogP2.46
Rot. Bonds7

About 4-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]pentanamide;dihydrochloride

4-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]pentanamide;dihydrochloride (PubChem CID 120564908) has the molecular formula C18H31Cl2N3O2 and a molecular weight of 392.37 g/mol. Its IUPAC name is 4-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]pentanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]pentanamide;dihydrochloride
PubChem CID120564908
Molecular FormulaC18H31Cl2N3O2
Molecular Weight392.37 g/mol
Exact Mass391.18
IUPAC Name4-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]pentanamide;dihydrochloride
SMILESCc1ccc(C(CNC(=O)CCC(C)N)N2CCOCC2)cc1.Cl.Cl
InChIInChI=1S/C18H29N3O2.2ClH/c1-14-3-6-16(7-4-14)17(21-9-11-23-12-10-21)13-20-18(22)8-5-15(2)19;;/h3-4,6-7,15,17H,5,8-13,19H2,1-2H3,(H,20,22);2*1H
InChIKeyTUTDNOPKDFEHJO-UHFFFAOYSA-N
XLogP2.46
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.37
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]butanamide;hydrochloride
CID 52984360
2-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 119859927
4-(4-methylphenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]butanamide
CID 110302631
N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 18588986
3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]propanamide
CID 22694279
(2S)-2-amino-3,3-dimethyl-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]butanamide
CID 119859917
4-methyl-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834547
1-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119859906
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methylphenyl)acetamide
CID 17459584
2-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide;dihydrochloride
CID 119946754
N-[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]butanamide
CID 112506556
N-[(4-methylphenyl)methyl]-N'-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide
CID 30835185

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]pentanamide;dihydrochloride?
The IUPAC name of 4-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]pentanamide;dihydrochloride (CID 120564908) is 4-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]pentanamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]pentanamide;dihydrochloride?
The canonical SMILES for 4-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]pentanamide;dihydrochloride is Cc1ccc(C(CNC(=O)CCC(C)N)N2CCOCC2)cc1.Cl.Cl.
What is the InChIKey of 4-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]pentanamide;dihydrochloride?
The InChIKey is TUTDNOPKDFEHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2.2ClH/c1-14-3-6-16(7-4-14)17(21-9-11-23-12-10-21)13-20-18(22)8-5-15(2)19;;/h3-4,6-7,15,17H,5,8-13,19H2,1-2H3,(H,20,22);2*1H.
What are the key properties of 4-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]pentanamide;dihydrochloride?
4-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]pentanamide;dihydrochloride has a molecular weight of 392.37 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]pentanamide;dihydrochloride is sourced from PubChem (CID 120564908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).