N-[[3,5-bis(acetamidomethyl)phenyl]methyl]acetamide

C15H21N3O3 — CID 70538979

IUPACN-[[3,5-bis(acetamidomethyl)phenyl]methyl]acetamide
SMILESCC(=O)NCc1cc(CNC(C)=O)cc(CNC(C)=O)c1
InChIInChI=1S/C15H21N3O3/c1-10(19)16-7-13-4-14(8-17-11(2)20)6-15(5-13)9-18-12(3)21/h4-6H,7-9H2,1-3H3,(H,16,19)(H,17,20)(H,18,21)
InChIKeyRDGXLRKVCMLESU-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.59
Rot. Bonds6

About N-[[3,5-bis(acetamidomethyl)phenyl]methyl]acetamide

N-[[3,5-bis(acetamidomethyl)phenyl]methyl]acetamide (PubChem CID 70538979) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[[3,5-bis(acetamidomethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3,5-bis(acetamidomethyl)phenyl]methyl]acetamide
PubChem CID70538979
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-[[3,5-bis(acetamidomethyl)phenyl]methyl]acetamide
SMILESCC(=O)NCc1cc(CNC(C)=O)cc(CNC(C)=O)c1
InChIInChI=1S/C15H21N3O3/c1-10(19)16-7-13-4-14(8-17-11(2)20)6-15(5-13)9-18-12(3)21/h4-6H,7-9H2,1-3H3,(H,16,19)(H,17,20)(H,18,21)
InChIKeyRDGXLRKVCMLESU-UHFFFAOYSA-N
XLogP0.59
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-dichlorophenyl)methyl]acetamide
CID 18425630
ethane;N-[(4-ethylphenyl)methyl]acetamide
CID 143474952
N-[(4-iodophenyl)methyl]acetamide
CID 23111624
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide
CID 20717933
N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]acetamide
CID 20717935
[3-(acetamidomethyl)phenyl]-methyltin
CID 59658577
N-[[3-[[3-(acetamidomethyl)phenyl]disulfanyl]phenyl]methyl]acetamide
CID 118256362
N-benzylacetamide;ethanamine
CID 22257034
4-(acetamidomethyl)benzoyl chloride
CID 13131539
N-benzylacetamide;toluene
CID 175498463
4-(acetamidomethyl)benzoate
CID 4573914
N-[(3-amino-4-fluorophenyl)methyl]acetamide
CID 89277317

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(acetamidomethyl)phenyl]methyl]acetamide?
The IUPAC name of N-[[3,5-bis(acetamidomethyl)phenyl]methyl]acetamide (CID 70538979) is N-[[3,5-bis(acetamidomethyl)phenyl]methyl]acetamide.
What is the SMILES notation for N-[[3,5-bis(acetamidomethyl)phenyl]methyl]acetamide?
The canonical SMILES for N-[[3,5-bis(acetamidomethyl)phenyl]methyl]acetamide is CC(=O)NCc1cc(CNC(C)=O)cc(CNC(C)=O)c1.
What is the InChIKey of N-[[3,5-bis(acetamidomethyl)phenyl]methyl]acetamide?
The InChIKey is RDGXLRKVCMLESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10(19)16-7-13-4-14(8-17-11(2)20)6-15(5-13)9-18-12(3)21/h4-6H,7-9H2,1-3H3,(H,16,19)(H,17,20)(H,18,21).
What are the key properties of N-[[3,5-bis(acetamidomethyl)phenyl]methyl]acetamide?
N-[[3,5-bis(acetamidomethyl)phenyl]methyl]acetamide has a molecular weight of 291.35 g/mol, XLogP of 0.59, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-bis(acetamidomethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 70538979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).