2-[2-amino-5-(5-morpholin-4-yl-3-pyridinyl)phenyl]-N-(4-ethylcyclooctyl)acetamide

C27H38N4O2 — CID 123869598

IUPAC2-[2-amino-5-(5-morpholin-4-yl-3-pyridinyl)phenyl]-N-(4-ethylcyclooctyl)acetamide
SMILESCCC1CCCCC(NC(=O)Cc2cc(-c3cncc(N4CCOCC4)c3)ccc2N)CC1
InChIInChI=1S/C27H38N4O2/c1-2-20-5-3-4-6-24(9-7-20)30-27(32)17-22-15-21(8-10-26(22)28)23-16-25(19-29-18-23)31-11-13-33-14-12-31/h8,10,15-16,18-20,24H,2-7,9,11-14,17,28H2,1H3,(H,30,32)
InChIKeyNEQCLGACTMQQBQ-UHFFFAOYSA-N
MW450.63 g/mol
LogP4.58
Rot. Bonds6

About 2-[2-amino-5-(5-morpholin-4-yl-3-pyridinyl)phenyl]-N-(4-ethylcyclooctyl)acetamide

2-[2-amino-5-(5-morpholin-4-yl-3-pyridinyl)phenyl]-N-(4-ethylcyclooctyl)acetamide (PubChem CID 123869598) has the molecular formula C27H38N4O2 and a molecular weight of 450.63 g/mol. Its IUPAC name is 2-[2-amino-5-(5-morpholin-4-yl-3-pyridinyl)phenyl]-N-(4-ethylcyclooctyl)acetamide.

Molecular Properties

Compound Name2-[2-amino-5-(5-morpholin-4-yl-3-pyridinyl)phenyl]-N-(4-ethylcyclooctyl)acetamide
PubChem CID123869598
Molecular FormulaC27H38N4O2
Molecular Weight450.63 g/mol
Exact Mass450.30
IUPAC Name2-[2-amino-5-(5-morpholin-4-yl-3-pyridinyl)phenyl]-N-(4-ethylcyclooctyl)acetamide
SMILESCCC1CCCCC(NC(=O)Cc2cc(-c3cncc(N4CCOCC4)c3)ccc2N)CC1
InChIInChI=1S/C27H38N4O2/c1-2-20-5-3-4-6-24(9-7-20)30-27(32)17-22-15-21(8-10-26(22)28)23-16-25(19-29-18-23)31-11-13-33-14-12-31/h8,10,15-16,18-20,24H,2-7,9,11-14,17,28H2,1H3,(H,30,32)
InChIKeyNEQCLGACTMQQBQ-UHFFFAOYSA-N
XLogP4.58
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.63
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-cyclohexyl-6-(5-pyrrolidin-1-yl-3-pyridinyl)-1,2-dihydroquinoline-4-carboxamide
CID 144929005
N-cyclohexyl-2-[2-(4-morpholin-4-ylanilino)-2-oxoethoxy]acetamide
CID 35269451
N-cyclopropyl-3-(4-morpholin-4-ylphenyl)propanamide
CID 110647271
N-(4-ethylcyclohexyl)morpholine-4-carboxamide
CID 115589164
N-[5-[2-amino-3-(4-morpholin-4-ylphenyl)quinolin-6-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 66800936
4-[5-(1,3-benzothiazol-6-yl)-3-pyridinyl]morpholine
CID 91510472
2-cyclohexyl-N-(5-morpholin-4-yl-2-pyridinyl)acetamide
CID 43049107
4-(5-ethyl-3-pyridinyl)morpholine
CID 130219562
2-[2-(aminomethyl)phenyl]-N-(4-ethylcyclohexyl)acetamide
CID 81321943
N-cyclopropyl-5-morpholin-4-ylpyridine-2-carboxamide
CID 109179845
N-[(3R)-1-benzylpyrrolidin-3-yl]-5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxamide
CID 129315581
N-cyclopropyl-3-(2-morpholin-4-yl-4-pyridinyl)propanamide
CID 53186023

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(5-morpholin-4-yl-3-pyridinyl)phenyl]-N-(4-ethylcyclooctyl)acetamide?
The IUPAC name of 2-[2-amino-5-(5-morpholin-4-yl-3-pyridinyl)phenyl]-N-(4-ethylcyclooctyl)acetamide (CID 123869598) is 2-[2-amino-5-(5-morpholin-4-yl-3-pyridinyl)phenyl]-N-(4-ethylcyclooctyl)acetamide.
What is the SMILES notation for 2-[2-amino-5-(5-morpholin-4-yl-3-pyridinyl)phenyl]-N-(4-ethylcyclooctyl)acetamide?
The canonical SMILES for 2-[2-amino-5-(5-morpholin-4-yl-3-pyridinyl)phenyl]-N-(4-ethylcyclooctyl)acetamide is CCC1CCCCC(NC(=O)Cc2cc(-c3cncc(N4CCOCC4)c3)ccc2N)CC1.
What is the InChIKey of 2-[2-amino-5-(5-morpholin-4-yl-3-pyridinyl)phenyl]-N-(4-ethylcyclooctyl)acetamide?
The InChIKey is NEQCLGACTMQQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N4O2/c1-2-20-5-3-4-6-24(9-7-20)30-27(32)17-22-15-21(8-10-26(22)28)23-16-25(19-29-18-23)31-11-13-33-14-12-31/h8,10,15-16,18-20,24H,2-7,9,11-14,17,28H2,1H3,(H,30,32).
What are the key properties of 2-[2-amino-5-(5-morpholin-4-yl-3-pyridinyl)phenyl]-N-(4-ethylcyclooctyl)acetamide?
2-[2-amino-5-(5-morpholin-4-yl-3-pyridinyl)phenyl]-N-(4-ethylcyclooctyl)acetamide has a molecular weight of 450.63 g/mol, XLogP of 4.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-(5-morpholin-4-yl-3-pyridinyl)phenyl]-N-(4-ethylcyclooctyl)acetamide is sourced from PubChem (CID 123869598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).