N-[[4-(2-phenylpropylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide

C28H34N2O2 — CID 46612410

IUPACN-[[4-(2-phenylpropylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide
SMILESCC(CNC(=O)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)c1ccccc1
InChIInChI=1S/C28H34N2O2/c1-19(24-5-3-2-4-6-24)17-29-26(31)25-9-7-20(8-10-25)18-30-27(32)28-14-21-11-22(15-28)13-23(12-21)16-28/h2-10,19,21-23H,11-18H2,1H3,(H,29,31)(H,30,32)
InChIKeyNJMQCLGRNJZIDF-UHFFFAOYSA-N
MW430.59 g/mol
LogP5.05
Rot. Bonds7

About N-[[4-(2-phenylpropylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide

N-[[4-(2-phenylpropylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide (PubChem CID 46612410) has the molecular formula C28H34N2O2 and a molecular weight of 430.59 g/mol. Its IUPAC name is N-[[4-(2-phenylpropylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-phenylpropylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide
PubChem CID46612410
Molecular FormulaC28H34N2O2
Molecular Weight430.59 g/mol
Exact Mass430.26
IUPAC NameN-[[4-(2-phenylpropylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide
SMILESCC(CNC(=O)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)c1ccccc1
InChIInChI=1S/C28H34N2O2/c1-19(24-5-3-2-4-6-24)17-29-26(31)25-9-7-20(8-10-25)18-30-27(32)28-14-21-11-22(15-28)13-23(12-21)16-28/h2-10,19,21-23H,11-18H2,1H3,(H,29,31)(H,30,32)
InChIKeyNJMQCLGRNJZIDF-UHFFFAOYSA-N
XLogP5.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.59
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-[2-(methylamino)ethylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide;hydrochloride
CID 119501131
4-methyl-N-[(2R)-2-phenylpropyl]benzamide
CID 9302175
N-[[4-[(1-ethylbenzimidazol-2-yl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide
CID 55408744
N-[[4-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide
CID 47729435
N-[[4-[(adamantane-1-carbonylamino)carbamoyl]phenyl]methyl]acetamide
CID 18107557
N-[[4-(piperidin-4-ylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide
CID 119387048
[(2S)-1-(1-adamantyl)-1-oxopropan-2-yl] 4-(acetamidomethyl)benzoate
CID 39964423
N-[[4-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]methyl]adamantane-1-carboxamide
CID 37018670
N-[[4-[[3-(dimethylcarbamoyl)phenyl]carbamoyl]phenyl]methyl]adamantane-1-carboxamide
CID 32627059
[(2R)-1-(benzylamino)-1-oxopropan-2-yl] adamantane-1-carboxylate
CID 7514446
N-[[4-[(2,4-dimethoxyphenyl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide
CID 46586709
N-[(R)-[4-(hydroxycarbamoyl)phenyl]-phenylmethyl]adamantane-1-carboxamide
CID 87384200

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-phenylpropylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide?
The IUPAC name of N-[[4-(2-phenylpropylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide (CID 46612410) is N-[[4-(2-phenylpropylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[[4-(2-phenylpropylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide?
The canonical SMILES for N-[[4-(2-phenylpropylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide is CC(CNC(=O)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)c1ccccc1.
What is the InChIKey of N-[[4-(2-phenylpropylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide?
The InChIKey is NJMQCLGRNJZIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O2/c1-19(24-5-3-2-4-6-24)17-29-26(31)25-9-7-20(8-10-25)18-30-27(32)28-14-21-11-22(15-28)13-23(12-21)16-28/h2-10,19,21-23H,11-18H2,1H3,(H,29,31)(H,30,32).
What are the key properties of N-[[4-(2-phenylpropylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide?
N-[[4-(2-phenylpropylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide has a molecular weight of 430.59 g/mol, XLogP of 5.05, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-phenylpropylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide is sourced from PubChem (CID 46612410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).