2-(4-benzylmorpholin-2-yl)-N-[2-(cycloheptylamino)ethyl]acetamide

C22H35N3O2 — CID 119620021

IUPAC2-(4-benzylmorpholin-2-yl)-N-[2-(cycloheptylamino)ethyl]acetamide
SMILESO=C(CC1CN(Cc2ccccc2)CCO1)NCCNC1CCCCCC1
InChIInChI=1S/C22H35N3O2/c26-22(24-13-12-23-20-10-6-1-2-7-11-20)16-21-18-25(14-15-27-21)17-19-8-4-3-5-9-19/h3-5,8-9,20-21,23H,1-2,6-7,10-18H2,(H,24,26)
InChIKeyLLIHDGARZRGRSZ-UHFFFAOYSA-N
MW373.54 g/mol
LogP2.71
Rot. Bonds8

About 2-(4-benzylmorpholin-2-yl)-N-[2-(cycloheptylamino)ethyl]acetamide

2-(4-benzylmorpholin-2-yl)-N-[2-(cycloheptylamino)ethyl]acetamide (PubChem CID 119620021) has the molecular formula C22H35N3O2 and a molecular weight of 373.54 g/mol. Its IUPAC name is 2-(4-benzylmorpholin-2-yl)-N-[2-(cycloheptylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-benzylmorpholin-2-yl)-N-[2-(cycloheptylamino)ethyl]acetamide
PubChem CID119620021
Molecular FormulaC22H35N3O2
Molecular Weight373.54 g/mol
Exact Mass373.27
IUPAC Name2-(4-benzylmorpholin-2-yl)-N-[2-(cycloheptylamino)ethyl]acetamide
SMILESO=C(CC1CN(Cc2ccccc2)CCO1)NCCNC1CCCCCC1
InChIInChI=1S/C22H35N3O2/c26-22(24-13-12-23-20-10-6-1-2-7-11-20)16-21-18-25(14-15-27-21)17-19-8-4-3-5-9-19/h3-5,8-9,20-21,23H,1-2,6-7,10-18H2,(H,24,26)
InChIKeyLLIHDGARZRGRSZ-UHFFFAOYSA-N
XLogP2.71
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 52.71
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

N-(2-aminoethyl)-2-(4-benzylmorpholin-2-yl)acetamide
CID 119383303
2-(4-benzylmorpholin-2-yl)-N-(3-hydroxybutyl)acetamide
CID 111539052
N-(2-amino-1-cyclohexylethyl)-2-(4-benzylmorpholin-2-yl)acetamide;dihydrochloride
CID 119590174
4-[[[2-[(2R)-4-benzylmorpholin-2-yl]acetyl]amino]methyl]benzoic acid
CID 124703826
N-(3-amino-2-methylpropyl)-2-(4-benzylmorpholin-2-yl)acetamide
CID 119995447
2-(4-benzylmorpholin-2-yl)-N-[(6-methyl-3-pyridinyl)methyl]acetamide
CID 71991420
2-[(2S)-4-benzylmorpholin-2-yl]-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]acetamide
CID 124844827
2-(4-benzylmorpholin-2-yl)-N-(4-hydroxy-2-methylpentyl)acetamide
CID 111540025
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-(4-benzylmorpholin-2-yl)acetamide
CID 91784573
2-[(2S)-4-benzylmorpholin-2-yl]-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 124588180
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-2-cyclopropylacetamide
CID 129479095

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylmorpholin-2-yl)-N-[2-(cycloheptylamino)ethyl]acetamide?
The IUPAC name of 2-(4-benzylmorpholin-2-yl)-N-[2-(cycloheptylamino)ethyl]acetamide (CID 119620021) is 2-(4-benzylmorpholin-2-yl)-N-[2-(cycloheptylamino)ethyl]acetamide.
What is the SMILES notation for 2-(4-benzylmorpholin-2-yl)-N-[2-(cycloheptylamino)ethyl]acetamide?
The canonical SMILES for 2-(4-benzylmorpholin-2-yl)-N-[2-(cycloheptylamino)ethyl]acetamide is O=C(CC1CN(Cc2ccccc2)CCO1)NCCNC1CCCCCC1.
What is the InChIKey of 2-(4-benzylmorpholin-2-yl)-N-[2-(cycloheptylamino)ethyl]acetamide?
The InChIKey is LLIHDGARZRGRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O2/c26-22(24-13-12-23-20-10-6-1-2-7-11-20)16-21-18-25(14-15-27-21)17-19-8-4-3-5-9-19/h3-5,8-9,20-21,23H,1-2,6-7,10-18H2,(H,24,26).
What are the key properties of 2-(4-benzylmorpholin-2-yl)-N-[2-(cycloheptylamino)ethyl]acetamide?
2-(4-benzylmorpholin-2-yl)-N-[2-(cycloheptylamino)ethyl]acetamide has a molecular weight of 373.54 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylmorpholin-2-yl)-N-[2-(cycloheptylamino)ethyl]acetamide is sourced from PubChem (CID 119620021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).