2-amino-N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-2-(oxan-4-yl)acetamide

C21H33N3O2 — CID 120799386

IUPAC2-amino-N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-2-(oxan-4-yl)acetamide
SMILESNC(C(=O)NCc1ccccc1CN1CCCCCC1)C1CCOCC1
InChIInChI=1S/C21H33N3O2/c22-20(17-9-13-26-14-10-17)21(25)23-15-18-7-3-4-8-19(18)16-24-11-5-1-2-6-12-24/h3-4,7-8,17,20H,1-2,5-6,9-16,22H2,(H,23,25)
InChIKeyDPKPAJCMXQHVPC-UHFFFAOYSA-N
MW359.51 g/mol
LogP2.43
Rot. Bonds6

About 2-amino-N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-2-(oxan-4-yl)acetamide

2-amino-N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-2-(oxan-4-yl)acetamide (PubChem CID 120799386) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is 2-amino-N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-2-(oxan-4-yl)acetamide
PubChem CID120799386
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name2-amino-N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-2-(oxan-4-yl)acetamide
SMILESNC(C(=O)NCc1ccccc1CN1CCCCCC1)C1CCOCC1
InChIInChI=1S/C21H33N3O2/c22-20(17-9-13-26-14-10-17)21(25)23-15-18-7-3-4-8-19(18)16-24-11-5-1-2-6-12-24/h3-4,7-8,17,20H,1-2,5-6,9-16,22H2,(H,23,25)
InChIKeyDPKPAJCMXQHVPC-UHFFFAOYSA-N
XLogP2.43
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120801606
2-amino-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-(oxan-4-yl)acetamide;trihydrochloride
CID 120801605
2-amino-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120798074
2-amino-2-(oxan-4-yl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]acetamide;hydrochloride
CID 120785303
1-[(1R)-1-(oxan-4-yl)ethyl]-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
CID 99815147
2-amino-N-benzyl-2-(oxan-4-yl)acetamide
CID 120782611
2-amino-N-(naphthalen-1-ylmethyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120786171
2-amino-2-(oxan-4-yl)-N-[(2-phenoxyphenyl)methyl]acetamide
CID 120790436
3-amino-2-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 120502633
2-amino-2-(oxan-4-yl)-N-[(2-phenoxyphenyl)methyl]acetamide;hydrochloride
CID 120790435
(2S)-2-amino-3,3-dimethyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 119836532
2-amino-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120785294

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-2-(oxan-4-yl)acetamide (CID 120799386) is 2-amino-N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-2-(oxan-4-yl)acetamide is NC(C(=O)NCc1ccccc1CN1CCCCCC1)C1CCOCC1.
What is the InChIKey of 2-amino-N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-2-(oxan-4-yl)acetamide?
The InChIKey is DPKPAJCMXQHVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c22-20(17-9-13-26-14-10-17)21(25)23-15-18-7-3-4-8-19(18)16-24-11-5-1-2-6-12-24/h3-4,7-8,17,20H,1-2,5-6,9-16,22H2,(H,23,25).
What are the key properties of 2-amino-N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-2-(oxan-4-yl)acetamide?
2-amino-N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-2-(oxan-4-yl)acetamide has a molecular weight of 359.51 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120799386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).