N-(2-adamantyl)-4-[(4-cyanophenyl)methyl]morpholine-2-carboxamide

C23H29N3O2 — CID 66557099

IUPACN-(2-adamantyl)-4-[(4-cyanophenyl)methyl]morpholine-2-carboxamide
SMILESN#Cc1ccc(CN2CCOC(C(=O)NC3C4CC5CC(C4)CC3C5)C2)cc1
InChIInChI=1S/C23H29N3O2/c24-12-15-1-3-16(4-2-15)13-26-5-6-28-21(14-26)23(27)25-22-19-8-17-7-18(10-19)11-20(22)9-17/h1-4,17-22H,5-11,13-14H2,(H,25,27)
InChIKeyCKPIOXOUESLMGG-UHFFFAOYSA-N
MW379.50 g/mol
LogP2.70
Rot. Bonds4

About N-(2-adamantyl)-4-[(4-cyanophenyl)methyl]morpholine-2-carboxamide

N-(2-adamantyl)-4-[(4-cyanophenyl)methyl]morpholine-2-carboxamide (PubChem CID 66557099) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-(2-adamantyl)-4-[(4-cyanophenyl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-4-[(4-cyanophenyl)methyl]morpholine-2-carboxamide
PubChem CID66557099
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-(2-adamantyl)-4-[(4-cyanophenyl)methyl]morpholine-2-carboxamide
SMILESN#Cc1ccc(CN2CCOC(C(=O)NC3C4CC5CC(C4)CC3C5)C2)cc1
InChIInChI=1S/C23H29N3O2/c24-12-15-1-3-16(4-2-15)13-26-5-6-28-21(14-26)23(27)25-22-19-8-17-7-18(10-19)11-20(22)9-17/h1-4,17-22H,5-11,13-14H2,(H,25,27)
InChIKeyCKPIOXOUESLMGG-UHFFFAOYSA-N
XLogP2.70
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(5-carbamoyl-2-adamantyl)-4-[(4-cyanophenyl)methyl]morpholine-2-carboxamide
CID 66556249
N-(2-adamantyl)-4-[(5-bromo-3-pyridinyl)methyl]morpholine-2-carboxamide
CID 66554714
2-[2-(2-adamantylcarbamoyl)morpholin-4-yl]acetic acid
CID 66555227
N-(2-adamantyl)-4-[2-(4-fluoroanilino)-2-oxoethyl]morpholine-2-carboxamide
CID 66555228
N-(5-carbamoyl-2-adamantyl)-4-[(6-chloro-3-pyridinyl)methyl]morpholine-2-carboxamide
CID 66555911
(2R)-N-(5-carbamoyl-2-adamantyl)-4-[[4-(trifluoromethylsulfanyl)phenyl]methyl]morpholine-2-carboxamide
CID 66556415
4-[[2-(aminomethyl)morpholin-4-yl]methyl]benzonitrile
CID 14881842
(2S)-4-benzyl-N-[2-(4-cyanopyrazol-1-yl)ethyl]morpholine-2-carboxamide
CID 95775919
N-(2-adamantyl)-4-[1-(3,4-difluorophenyl)ethyl]morpholine-2-carboxamide
CID 66555578
(2R)-4-benzyl-N-[(1R)-1-cyano-2-methylpropyl]morpholine-2-carboxamide
CID 97216021
(2S)-4-benzyl-N-[(3S)-oxan-3-yl]morpholine-2-carboxamide
CID 99846749
4-[[2-(2-aminoethyl)morpholin-4-yl]methyl]benzonitrile
CID 14881847

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-4-[(4-cyanophenyl)methyl]morpholine-2-carboxamide?
The IUPAC name of N-(2-adamantyl)-4-[(4-cyanophenyl)methyl]morpholine-2-carboxamide (CID 66557099) is N-(2-adamantyl)-4-[(4-cyanophenyl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-4-[(4-cyanophenyl)methyl]morpholine-2-carboxamide?
The canonical SMILES for N-(2-adamantyl)-4-[(4-cyanophenyl)methyl]morpholine-2-carboxamide is N#Cc1ccc(CN2CCOC(C(=O)NC3C4CC5CC(C4)CC3C5)C2)cc1.
What is the InChIKey of N-(2-adamantyl)-4-[(4-cyanophenyl)methyl]morpholine-2-carboxamide?
The InChIKey is CKPIOXOUESLMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c24-12-15-1-3-16(4-2-15)13-26-5-6-28-21(14-26)23(27)25-22-19-8-17-7-18(10-19)11-20(22)9-17/h1-4,17-22H,5-11,13-14H2,(H,25,27).
What are the key properties of N-(2-adamantyl)-4-[(4-cyanophenyl)methyl]morpholine-2-carboxamide?
N-(2-adamantyl)-4-[(4-cyanophenyl)methyl]morpholine-2-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-4-[(4-cyanophenyl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 66557099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).