N-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]acetamide

C15H23N3O — CID 3752897

IUPACN-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCCN(C)CC2)cc1
InChIInChI=1S/C15H23N3O/c1-13(19)16-15-6-4-14(5-7-15)12-18-9-3-8-17(2)10-11-18/h4-7H,3,8-12H2,1-2H3,(H,16,19)
InChIKeyHGJIUXDNOUZQNC-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.78
Rot. Bonds3

About N-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]acetamide

N-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]acetamide (PubChem CID 3752897) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]acetamide
PubChem CID3752897
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCCN(C)CC2)cc1
InChIInChI=1S/C15H23N3O/c1-13(19)16-15-6-4-14(5-7-15)12-18-9-3-8-17(2)10-11-18/h4-7H,3,8-12H2,1-2H3,(H,16,19)
InChIKeyHGJIUXDNOUZQNC-UHFFFAOYSA-N
XLogP1.78
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]acetamide?
The IUPAC name of N-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]acetamide (CID 3752897) is N-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]acetamide is CC(=O)Nc1ccc(CN2CCCN(C)CC2)cc1.
What is the InChIKey of N-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]acetamide?
The InChIKey is HGJIUXDNOUZQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-13(19)16-15-6-4-14(5-7-15)12-18-9-3-8-17(2)10-11-18/h4-7H,3,8-12H2,1-2H3,(H,16,19).
What are the key properties of N-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]acetamide?
N-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]acetamide has a molecular weight of 261.37 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 3752897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).