[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 2-phenylbutanoate

C23H34N2O4 — CID 55475345

IUPAC[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 2-phenylbutanoate
SMILESCCC(C(=O)OCC(=O)NCC1(N2CCOCC2)CCCCC1)c1ccccc1
InChIInChI=1S/C23H34N2O4/c1-2-20(19-9-5-3-6-10-19)22(27)29-17-21(26)24-18-23(11-7-4-8-12-23)25-13-15-28-16-14-25/h3,5-6,9-10,20H,2,4,7-8,11-18H2,1H3,(H,24,26)
InChIKeyAQISLRZCQXSKFM-UHFFFAOYSA-N
MW402.54 g/mol
LogP2.87
Rot. Bonds8

About [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 2-phenylbutanoate

[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 2-phenylbutanoate (PubChem CID 55475345) has the molecular formula C23H34N2O4 and a molecular weight of 402.54 g/mol. Its IUPAC name is [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 2-phenylbutanoate.

Molecular Properties

Compound Name[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 2-phenylbutanoate
PubChem CID55475345
Molecular FormulaC23H34N2O4
Molecular Weight402.54 g/mol
Exact Mass402.25
IUPAC Name[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 2-phenylbutanoate
SMILESCCC(C(=O)OCC(=O)NCC1(N2CCOCC2)CCCCC1)c1ccccc1
InChIInChI=1S/C23H34N2O4/c1-2-20(19-9-5-3-6-10-19)22(27)29-17-21(26)24-18-23(11-7-4-8-12-23)25-13-15-28-16-14-25/h3,5-6,9-10,20H,2,4,7-8,11-18H2,1H3,(H,24,26)
InChIKeyAQISLRZCQXSKFM-UHFFFAOYSA-N
XLogP2.87
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-phenylpropanamide
CID 18150652
2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 8641191
[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 9H-xanthene-9-carboxylate
CID 16569475
2-(2-chlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide;hydrochloride
CID 20994960
2-(2-methylphenoxy)-N-[(1-morpholin-4-ylcyclobutyl)methyl]acetamide
CID 139027118
[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate
CID 16570222
[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 3-(2-methylpropyl)-4-oxophthalazine-1-carboxylate
CID 55441795
[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 4-oxo-3-propylphthalazine-1-carboxylate
CID 16572824
3-amino-3-phenyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide
CID 119953909
[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 16575448
N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-phenylbutanamide
CID 110622688
[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 4-chloro-2-hydroxybenzoate
CID 55536838

Frequently Asked Questions

What is the IUPAC name of [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 2-phenylbutanoate?
The IUPAC name of [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 2-phenylbutanoate (CID 55475345) is [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 2-phenylbutanoate.
What is the SMILES notation for [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 2-phenylbutanoate?
The canonical SMILES for [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 2-phenylbutanoate is CCC(C(=O)OCC(=O)NCC1(N2CCOCC2)CCCCC1)c1ccccc1.
What is the InChIKey of [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 2-phenylbutanoate?
The InChIKey is AQISLRZCQXSKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O4/c1-2-20(19-9-5-3-6-10-19)22(27)29-17-21(26)24-18-23(11-7-4-8-12-23)25-13-15-28-16-14-25/h3,5-6,9-10,20H,2,4,7-8,11-18H2,1H3,(H,24,26).
What are the key properties of [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 2-phenylbutanoate?
[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 2-phenylbutanoate has a molecular weight of 402.54 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 2-phenylbutanoate is sourced from PubChem (CID 55475345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).