4-[2-methyl-1-oxo-1-(phenylmethoxyamino)propan-2-yl]-N-pyridin-4-ylcyclohexane-1-carboxamide

C23H29N3O3 — CID 139767867

IUPAC4-[2-methyl-1-oxo-1-(phenylmethoxyamino)propan-2-yl]-N-pyridin-4-ylcyclohexane-1-carboxamide
SMILESCC(C)(C(=O)NOCc1ccccc1)C1CCC(C(=O)Nc2ccncc2)CC1
InChIInChI=1S/C23H29N3O3/c1-23(2,22(28)26-29-16-17-6-4-3-5-7-17)19-10-8-18(9-11-19)21(27)25-20-12-14-24-15-13-20/h3-7,12-15,18-19H,8-11,16H2,1-2H3,(H,26,28)(H,24,25,27)
InChIKeyIPOGJTWLZSAEBR-UHFFFAOYSA-N
MW395.50 g/mol
LogP4.10
Rot. Bonds7

About 4-[2-methyl-1-oxo-1-(phenylmethoxyamino)propan-2-yl]-N-pyridin-4-ylcyclohexane-1-carboxamide

4-[2-methyl-1-oxo-1-(phenylmethoxyamino)propan-2-yl]-N-pyridin-4-ylcyclohexane-1-carboxamide (PubChem CID 139767867) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 4-[2-methyl-1-oxo-1-(phenylmethoxyamino)propan-2-yl]-N-pyridin-4-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[2-methyl-1-oxo-1-(phenylmethoxyamino)propan-2-yl]-N-pyridin-4-ylcyclohexane-1-carboxamide
PubChem CID139767867
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name4-[2-methyl-1-oxo-1-(phenylmethoxyamino)propan-2-yl]-N-pyridin-4-ylcyclohexane-1-carboxamide
SMILESCC(C)(C(=O)NOCc1ccccc1)C1CCC(C(=O)Nc2ccncc2)CC1
InChIInChI=1S/C23H29N3O3/c1-23(2,22(28)26-29-16-17-6-4-3-5-7-17)19-10-8-18(9-11-19)21(27)25-20-12-14-24-15-13-20/h3-7,12-15,18-19H,8-11,16H2,1-2H3,(H,26,28)(H,24,25,27)
InChIKeyIPOGJTWLZSAEBR-UHFFFAOYSA-N
XLogP4.10
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[2-[4-(pyridin-4-ylcarbamoyl)cyclohexyl]propan-2-yl]carbamate;hydrochloride
CID 70056751
2-amino-2-cyclopropyl-N-phenylmethoxypropanamide
CID 64974796
N-[4-[1-(phenylmethoxycarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 42952735
4-methyl-N-phenylmethoxycyclohexane-1-carboxamide
CID 79005762
2-[4-(pyridin-4-ylcarbamoyl)cyclohexyl]acetic acid
CID 115150952
4-acetyl-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 170566312
benzyl N-[[4-(phenylcarbamoyl)cyclohexyl]methyl]carbamate
CID 69455097
N-[4-(pyridin-4-ylmethylamino)phenyl]cyclopropanecarboxamide
CID 28660347
3-chloro-2,2-dimethyl-N-phenylmethoxypropanamide
CID 12593594
2-chloro-2-methyl-N-phenylmethoxypropanamide
CID 141458556
N-[4-(4-phenylmethoxyanilino)phenyl]cyclopropanecarboxamide
CID 112988911
N-[4-[(2-amino-2-cyclopropylpropanoyl)amino]phenyl]cyclopropanecarboxamide
CID 61252070

Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-1-oxo-1-(phenylmethoxyamino)propan-2-yl]-N-pyridin-4-ylcyclohexane-1-carboxamide?
The IUPAC name of 4-[2-methyl-1-oxo-1-(phenylmethoxyamino)propan-2-yl]-N-pyridin-4-ylcyclohexane-1-carboxamide (CID 139767867) is 4-[2-methyl-1-oxo-1-(phenylmethoxyamino)propan-2-yl]-N-pyridin-4-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-[2-methyl-1-oxo-1-(phenylmethoxyamino)propan-2-yl]-N-pyridin-4-ylcyclohexane-1-carboxamide?
The canonical SMILES for 4-[2-methyl-1-oxo-1-(phenylmethoxyamino)propan-2-yl]-N-pyridin-4-ylcyclohexane-1-carboxamide is CC(C)(C(=O)NOCc1ccccc1)C1CCC(C(=O)Nc2ccncc2)CC1.
What is the InChIKey of 4-[2-methyl-1-oxo-1-(phenylmethoxyamino)propan-2-yl]-N-pyridin-4-ylcyclohexane-1-carboxamide?
The InChIKey is IPOGJTWLZSAEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-23(2,22(28)26-29-16-17-6-4-3-5-7-17)19-10-8-18(9-11-19)21(27)25-20-12-14-24-15-13-20/h3-7,12-15,18-19H,8-11,16H2,1-2H3,(H,26,28)(H,24,25,27).
What are the key properties of 4-[2-methyl-1-oxo-1-(phenylmethoxyamino)propan-2-yl]-N-pyridin-4-ylcyclohexane-1-carboxamide?
4-[2-methyl-1-oxo-1-(phenylmethoxyamino)propan-2-yl]-N-pyridin-4-ylcyclohexane-1-carboxamide has a molecular weight of 395.50 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-1-oxo-1-(phenylmethoxyamino)propan-2-yl]-N-pyridin-4-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 139767867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).