N-[4-(acetamidomethyl)phenyl]-2-amino-2-(oxan-4-yl)acetamide

C16H23N3O3 — CID 120792716

IUPACN-[4-(acetamidomethyl)phenyl]-2-amino-2-(oxan-4-yl)acetamide
SMILESCC(=O)NCc1ccc(NC(=O)C(N)C2CCOCC2)cc1
InChIInChI=1S/C16H23N3O3/c1-11(20)18-10-12-2-4-14(5-3-12)19-16(21)15(17)13-6-8-22-9-7-13/h2-5,13,15H,6-10,17H2,1H3,(H,18,20)(H,19,21)
InChIKeyDMWVLPQBWUDPTE-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.02
Rot. Bonds5

About N-[4-(acetamidomethyl)phenyl]-2-amino-2-(oxan-4-yl)acetamide

N-[4-(acetamidomethyl)phenyl]-2-amino-2-(oxan-4-yl)acetamide (PubChem CID 120792716) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[4-(acetamidomethyl)phenyl]-2-amino-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-[4-(acetamidomethyl)phenyl]-2-amino-2-(oxan-4-yl)acetamide
PubChem CID120792716
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-[4-(acetamidomethyl)phenyl]-2-amino-2-(oxan-4-yl)acetamide
SMILESCC(=O)NCc1ccc(NC(=O)C(N)C2CCOCC2)cc1
InChIInChI=1S/C16H23N3O3/c1-11(20)18-10-12-2-4-14(5-3-12)19-16(21)15(17)13-6-8-22-9-7-13/h2-5,13,15H,6-10,17H2,1H3,(H,18,20)(H,19,21)
InChIKeyDMWVLPQBWUDPTE-UHFFFAOYSA-N
XLogP1.02
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-[(4-fluorophenyl)methyl]benzamide
CID 120786924
2-amino-2-(oxan-4-yl)-N-(4-pentylphenyl)acetamide
CID 120784146
2-amino-N-benzyl-2-(oxan-4-yl)acetamide
CID 120782611
N-[4-[[2-amino-2-(oxan-4-yl)acetyl]amino]phenyl]-3-methylbutanamide
CID 120785588
2-amino-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-2-(oxan-4-yl)acetamide
CID 120800496
2-amino-2-(oxan-4-yl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 120785656
N-(3-acetamidophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride
CID 120782773
N-[4-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride
CID 120799443
4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-propylbenzamide;hydrochloride
CID 120788869
2-amino-N-[4-(2-morpholin-4-ylethyl)phenyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120798857
2-amino-2-(oxan-4-yl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 120798942
2-amino-2-(oxan-4-yl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide;hydrochloride
CID 120785655

Frequently Asked Questions

What is the IUPAC name of N-[4-(acetamidomethyl)phenyl]-2-amino-2-(oxan-4-yl)acetamide?
The IUPAC name of N-[4-(acetamidomethyl)phenyl]-2-amino-2-(oxan-4-yl)acetamide (CID 120792716) is N-[4-(acetamidomethyl)phenyl]-2-amino-2-(oxan-4-yl)acetamide.
What is the SMILES notation for N-[4-(acetamidomethyl)phenyl]-2-amino-2-(oxan-4-yl)acetamide?
The canonical SMILES for N-[4-(acetamidomethyl)phenyl]-2-amino-2-(oxan-4-yl)acetamide is CC(=O)NCc1ccc(NC(=O)C(N)C2CCOCC2)cc1.
What is the InChIKey of N-[4-(acetamidomethyl)phenyl]-2-amino-2-(oxan-4-yl)acetamide?
The InChIKey is DMWVLPQBWUDPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-11(20)18-10-12-2-4-14(5-3-12)19-16(21)15(17)13-6-8-22-9-7-13/h2-5,13,15H,6-10,17H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-[4-(acetamidomethyl)phenyl]-2-amino-2-(oxan-4-yl)acetamide?
N-[4-(acetamidomethyl)phenyl]-2-amino-2-(oxan-4-yl)acetamide has a molecular weight of 305.38 g/mol, XLogP of 1.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(acetamidomethyl)phenyl]-2-amino-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120792716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).