N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(oxan-2-yl)acetamide

C16H21ClN2O3 — CID 110625410

IUPACN-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(oxan-2-yl)acetamide
SMILESO=C(CNC(=O)CC1CCCCO1)NCc1ccc(Cl)cc1
InChIInChI=1S/C16H21ClN2O3/c17-13-6-4-12(5-7-13)10-18-16(21)11-19-15(20)9-14-3-1-2-8-22-14/h4-7,14H,1-3,8-11H2,(H,18,21)(H,19,20)
InChIKeyREVYASHWTFBFTM-UHFFFAOYSA-N
MW324.81 g/mol
LogP2.03
Rot. Bonds6

About N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(oxan-2-yl)acetamide

N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(oxan-2-yl)acetamide (PubChem CID 110625410) has the molecular formula C16H21ClN2O3 and a molecular weight of 324.81 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(oxan-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(oxan-2-yl)acetamide
PubChem CID110625410
Molecular FormulaC16H21ClN2O3
Molecular Weight324.81 g/mol
Exact Mass324.12
IUPAC NameN-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(oxan-2-yl)acetamide
SMILESO=C(CNC(=O)CC1CCCCO1)NCc1ccc(Cl)cc1
InChIInChI=1S/C16H21ClN2O3/c17-13-6-4-12(5-7-13)10-18-16(21)11-19-15(20)9-14-3-1-2-8-22-14/h4-7,14H,1-3,8-11H2,(H,18,21)(H,19,20)
InChIKeyREVYASHWTFBFTM-UHFFFAOYSA-N
XLogP2.03
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(oxan-2-ylmethylamino)acetamide
CID 60971571
N-[(4-chlorophenyl)methyl]-2-[[(2S)-oxolan-2-yl]methylsulfamoyl]acetamide
CID 95154808
N-[[4-(chloromethyl)phenyl]methyl]-3-(oxan-2-yl)propanamide
CID 107233408
N-[(4-chlorophenyl)methyl]-2-(cyclooctylamino)acetamide
CID 9265296
3-[4-[[[2-(oxolan-2-yl)acetyl]amino]methyl]phenyl]prop-2-enoic acid
CID 77057744
N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 95628532
N-[(4-chlorophenyl)methyl]-2-(cyclopropylmethylamino)acetamide
CID 54925408
N-[(4-hydroxyphenyl)methyl]-3-(oxan-2-yl)propanamide
CID 115621995
N-[(4-methylphenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119677338
N-[(4-chlorophenyl)methyl]-2-[(5R)-4-oxo-2-[[(2S)-oxolan-2-yl]methylimino]-1,3-thiazolidin-5-yl]acetamide
CID 135849439
N-[(4-chlorophenyl)methyl]-2-[(5R)-4-oxo-2-[[(2R)-oxolan-2-yl]methylimino]-1,3-thiazolidin-5-yl]acetamide
CID 135849441
N-[(4-chlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 787812

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(oxan-2-yl)acetamide?
The IUPAC name of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(oxan-2-yl)acetamide (CID 110625410) is N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(oxan-2-yl)acetamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(oxan-2-yl)acetamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(oxan-2-yl)acetamide is O=C(CNC(=O)CC1CCCCO1)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(oxan-2-yl)acetamide?
The InChIKey is REVYASHWTFBFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3/c17-13-6-4-12(5-7-13)10-18-16(21)11-19-15(20)9-14-3-1-2-8-22-14/h4-7,14H,1-3,8-11H2,(H,18,21)(H,19,20).
What are the key properties of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(oxan-2-yl)acetamide?
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(oxan-2-yl)acetamide has a molecular weight of 324.81 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(oxan-2-yl)acetamide is sourced from PubChem (CID 110625410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).