N-[4-[[[(2R)-2-(4-propan-2-ylphenoxy)propanoyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide

C23H27N3O4 — CID 9241022

IUPACN-[4-[[[(2R)-2-(4-propan-2-ylphenoxy)propanoyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide
SMILESCC(C)c1ccc(O[C@H](C)C(=O)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1
InChIInChI=1S/C23H27N3O4/c1-14(2)16-8-12-20(13-9-16)30-15(3)21(27)25-26-23(29)18-6-10-19(11-7-18)24-22(28)17-4-5-17/h6-15,17H,4-5H2,1-3H3,(H,24,28)(H,25,27)(H,26,29)/t15-/m1/s1
InChIKeyQQBNLLXCHXUFTN-OAHLLOKOSA-N
MW409.49 g/mol
LogP3.39
Rot. Bonds7

About N-[4-[[[(2R)-2-(4-propan-2-ylphenoxy)propanoyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide

N-[4-[[[(2R)-2-(4-propan-2-ylphenoxy)propanoyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide (PubChem CID 9241022) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[4-[[[(2R)-2-(4-propan-2-ylphenoxy)propanoyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[[[(2R)-2-(4-propan-2-ylphenoxy)propanoyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide
PubChem CID9241022
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC NameN-[4-[[[(2R)-2-(4-propan-2-ylphenoxy)propanoyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide
SMILESCC(C)c1ccc(O[C@H](C)C(=O)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1
InChIInChI=1S/C23H27N3O4/c1-14(2)16-8-12-20(13-9-16)30-15(3)21(27)25-26-23(29)18-6-10-19(11-7-18)24-22(28)17-4-5-17/h6-15,17H,4-5H2,1-3H3,(H,24,28)(H,25,27)(H,26,29)/t15-/m1/s1
InChIKeyQQBNLLXCHXUFTN-OAHLLOKOSA-N
XLogP3.39
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(cyclopropanecarbonylamino)-N-(4-propan-2-ylphenyl)benzamide
CID 26288890
4-methyl-N'-[2-(4-propan-2-ylphenoxy)propanoyl]benzohydrazide
CID 4953821
ethane;N-(4-propan-2-ylphenyl)cyclopropanecarboxamide
CID 143709659
N-[4-[[[(2S)-2-(2-methoxyphenoxy)propanoyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide
CID 42426783
N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]cyclopropanecarboxamide
CID 108541568
N-[4-[[(4-propan-2-ylbenzoyl)amino]carbamoyl]phenyl]acetamide
CID 17177513
N-[4-[[2-[4-(2-methylpropyl)phenyl]propanoylamino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 54782194
(2S)-N-(4-acetylphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 9238804
N-(4-acetylphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 4953600
4-butan-2-yloxy-N-[[[4-(cyclopropanecarbonylamino)benzoyl]amino]carbamothioyl]benzamide
CID 17141739
N-ethyl-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
CID 17234372
N-[2-methyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]phenyl]cyclopropanecarboxamide
CID 46761316

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[(2R)-2-(4-propan-2-ylphenoxy)propanoyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[[[(2R)-2-(4-propan-2-ylphenoxy)propanoyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide (CID 9241022) is N-[4-[[[(2R)-2-(4-propan-2-ylphenoxy)propanoyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[[[(2R)-2-(4-propan-2-ylphenoxy)propanoyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[[[(2R)-2-(4-propan-2-ylphenoxy)propanoyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide is CC(C)c1ccc(O[C@H](C)C(=O)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1.
What is the InChIKey of N-[4-[[[(2R)-2-(4-propan-2-ylphenoxy)propanoyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide?
The InChIKey is QQBNLLXCHXUFTN-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-14(2)16-8-12-20(13-9-16)30-15(3)21(27)25-26-23(29)18-6-10-19(11-7-18)24-22(28)17-4-5-17/h6-15,17H,4-5H2,1-3H3,(H,24,28)(H,25,27)(H,26,29)/t15-/m1/s1.
What are the key properties of N-[4-[[[(2R)-2-(4-propan-2-ylphenoxy)propanoyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide?
N-[4-[[[(2R)-2-(4-propan-2-ylphenoxy)propanoyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide has a molecular weight of 409.49 g/mol, XLogP of 3.39, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[(2R)-2-(4-propan-2-ylphenoxy)propanoyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 9241022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).