N-[4-[[[(2S)-2-(2-methoxyphenoxy)propanoyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide

C24H29N3O5 — CID 42426783

IUPACN-[4-[[[(2S)-2-(2-methoxyphenoxy)propanoyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide
SMILESCOc1ccccc1O[C@@H](C)C(=O)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C24H29N3O5/c1-16(32-21-11-7-6-10-20(21)31-2)22(28)26-27-24(30)18-12-14-19(15-13-18)25-23(29)17-8-4-3-5-9-17/h6-7,10-17H,3-5,8-9H2,1-2H3,(H,25,29)(H,26,28)(H,27,30)/t16-/m0/s1
InChIKeyQDTRXXMXNACAAJ-INIZCTEOSA-N
MW439.51 g/mol
LogP3.44
Rot. Bonds7

About N-[4-[[[(2S)-2-(2-methoxyphenoxy)propanoyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide

N-[4-[[[(2S)-2-(2-methoxyphenoxy)propanoyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide (PubChem CID 42426783) has the molecular formula C24H29N3O5 and a molecular weight of 439.51 g/mol. Its IUPAC name is N-[4-[[[(2S)-2-(2-methoxyphenoxy)propanoyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-[[[(2S)-2-(2-methoxyphenoxy)propanoyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide
PubChem CID42426783
Molecular FormulaC24H29N3O5
Molecular Weight439.51 g/mol
Exact Mass439.21
IUPAC NameN-[4-[[[(2S)-2-(2-methoxyphenoxy)propanoyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide
SMILESCOc1ccccc1O[C@@H](C)C(=O)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C24H29N3O5/c1-16(32-21-11-7-6-10-20(21)31-2)22(28)26-27-24(30)18-12-14-19(15-13-18)25-23(29)17-8-4-3-5-9-17/h6-7,10-17H,3-5,8-9H2,1-2H3,(H,25,29)(H,26,28)(H,27,30)/t16-/m0/s1
InChIKeyQDTRXXMXNACAAJ-INIZCTEOSA-N
XLogP3.44
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[[2-(2-methoxyphenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]cyclohexanecarboxamide
CID 4506581
4-methoxy-N'-[2-(2-methoxyphenoxy)propanoyl]benzohydrazide
CID 4943348
methyl 4-[[[4-(cyclohexanecarbonylamino)benzoyl]amino]carbamoyl]benzoate
CID 17178384
N-cyclohexyl-2-(2-methoxyphenoxy)propanamide
CID 5003306
N-[4-[[[(2R)-2-(4-propan-2-ylphenoxy)propanoyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 9241022
(2S)-N-cyclopentyl-2-(2-methoxyphenoxy)propanamide
CID 42082135
N-[4-[(2-methylpropanoylcarbamothioylamino)carbamoyl]phenyl]cyclohexanecarboxamide
CID 4924002
3-bromo-N-[[[4-(cyclohexanecarbonylamino)benzoyl]amino]carbamothioyl]-4-methoxybenzamide
CID 4502168
4-(cyclopentanecarbonylamino)-N-[2-[(2-methoxyphenyl)carbamoylamino]ethyl]benzamide
CID 121063317
4-[2-(2-methoxyphenoxy)propanoylamino]benzamide
CID 4943131
methyl 4-[[(2S)-2-(2-methoxyphenoxy)propanoyl]amino]benzoate
CID 886076
N'-[2-(2-chlorophenoxy)propanoyl]-3,4-dimethoxybenzohydrazide
CID 4932300

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[(2S)-2-(2-methoxyphenoxy)propanoyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-[[[(2S)-2-(2-methoxyphenoxy)propanoyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide (CID 42426783) is N-[4-[[[(2S)-2-(2-methoxyphenoxy)propanoyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-[[[(2S)-2-(2-methoxyphenoxy)propanoyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-[[[(2S)-2-(2-methoxyphenoxy)propanoyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide is COc1ccccc1O[C@@H](C)C(=O)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1.
What is the InChIKey of N-[4-[[[(2S)-2-(2-methoxyphenoxy)propanoyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide?
The InChIKey is QDTRXXMXNACAAJ-INIZCTEOSA-N. The full InChI is InChI=1S/C24H29N3O5/c1-16(32-21-11-7-6-10-20(21)31-2)22(28)26-27-24(30)18-12-14-19(15-13-18)25-23(29)17-8-4-3-5-9-17/h6-7,10-17H,3-5,8-9H2,1-2H3,(H,25,29)(H,26,28)(H,27,30)/t16-/m0/s1.
What are the key properties of N-[4-[[[(2S)-2-(2-methoxyphenoxy)propanoyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide?
N-[4-[[[(2S)-2-(2-methoxyphenoxy)propanoyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide has a molecular weight of 439.51 g/mol, XLogP of 3.44, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[(2S)-2-(2-methoxyphenoxy)propanoyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 42426783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).