N-(3-acetamidophenyl)-3-[methyl-[2-[(2S)-oxan-2-yl]ethyl]amino]propanamide

C19H29N3O3 — CID 124749501

IUPACN-(3-acetamidophenyl)-3-[methyl-[2-[(2S)-oxan-2-yl]ethyl]amino]propanamide
SMILESCC(=O)Nc1cccc(NC(=O)CCN(C)CC[C@@H]2CCCCO2)c1
InChIInChI=1S/C19H29N3O3/c1-15(23)20-16-6-5-7-17(14-16)21-19(24)10-12-22(2)11-9-18-8-3-4-13-25-18/h5-7,14,18H,3-4,8-13H2,1-2H3,(H,20,23)(H,21,24)/t18-/m0/s1
InChIKeyARCQHGNHCPKAJN-SFHVURJKSA-N
MW347.46 g/mol
LogP2.86
Rot. Bonds8

About N-(3-acetamidophenyl)-3-[methyl-[2-[(2S)-oxan-2-yl]ethyl]amino]propanamide

N-(3-acetamidophenyl)-3-[methyl-[2-[(2S)-oxan-2-yl]ethyl]amino]propanamide (PubChem CID 124749501) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-3-[methyl-[2-[(2S)-oxan-2-yl]ethyl]amino]propanamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-3-[methyl-[2-[(2S)-oxan-2-yl]ethyl]amino]propanamide
PubChem CID124749501
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC NameN-(3-acetamidophenyl)-3-[methyl-[2-[(2S)-oxan-2-yl]ethyl]amino]propanamide
SMILESCC(=O)Nc1cccc(NC(=O)CCN(C)CC[C@@H]2CCCCO2)c1
InChIInChI=1S/C19H29N3O3/c1-15(23)20-16-6-5-7-17(14-16)21-19(24)10-12-22(2)11-9-18-8-3-4-13-25-18/h5-7,14,18H,3-4,8-13H2,1-2H3,(H,20,23)(H,21,24)/t18-/m0/s1
InChIKeyARCQHGNHCPKAJN-SFHVURJKSA-N
XLogP2.86
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 63939425
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N-[3-[2-(oxolan-2-yl)ethylcarbamothioylamino]phenyl]acetamide
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3-(3-acetylphenyl)-1-methyl-1-(oxan-2-ylmethyl)urea
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N-(3-fluorophenyl)-2-[methyl-[[(2S)-oxan-2-yl]methyl]amino]acetamide
CID 9223762
3-acetamido-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 110745062
3-[bis[[(2R)-oxolan-2-yl]methyl]amino]-N-(3-fluorophenyl)propanamide
CID 51952632
N-(3-methoxyphenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 78722797
N-[3-[1-(methylamino)ethyl]phenyl]-3-(oxolan-2-yl)propanamide
CID 65157052
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-3-(oxolan-2-yl)propanamide
CID 55605086
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CID 54815821

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-3-[methyl-[2-[(2S)-oxan-2-yl]ethyl]amino]propanamide?
The IUPAC name of N-(3-acetamidophenyl)-3-[methyl-[2-[(2S)-oxan-2-yl]ethyl]amino]propanamide (CID 124749501) is N-(3-acetamidophenyl)-3-[methyl-[2-[(2S)-oxan-2-yl]ethyl]amino]propanamide.
What is the SMILES notation for N-(3-acetamidophenyl)-3-[methyl-[2-[(2S)-oxan-2-yl]ethyl]amino]propanamide?
The canonical SMILES for N-(3-acetamidophenyl)-3-[methyl-[2-[(2S)-oxan-2-yl]ethyl]amino]propanamide is CC(=O)Nc1cccc(NC(=O)CCN(C)CC[C@@H]2CCCCO2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-3-[methyl-[2-[(2S)-oxan-2-yl]ethyl]amino]propanamide?
The InChIKey is ARCQHGNHCPKAJN-SFHVURJKSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-15(23)20-16-6-5-7-17(14-16)21-19(24)10-12-22(2)11-9-18-8-3-4-13-25-18/h5-7,14,18H,3-4,8-13H2,1-2H3,(H,20,23)(H,21,24)/t18-/m0/s1.
What are the key properties of N-(3-acetamidophenyl)-3-[methyl-[2-[(2S)-oxan-2-yl]ethyl]amino]propanamide?
N-(3-acetamidophenyl)-3-[methyl-[2-[(2S)-oxan-2-yl]ethyl]amino]propanamide has a molecular weight of 347.46 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-3-[methyl-[2-[(2S)-oxan-2-yl]ethyl]amino]propanamide is sourced from PubChem (CID 124749501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).