N-[[4-(azepan-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide

C19H29N3O2 — CID 119867295

IUPACN-[[4-(azepan-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide
SMILESO=C(NCc1ccc(CN2CCCCCC2)cc1)C1CNCCO1
InChIInChI=1S/C19H29N3O2/c23-19(18-14-20-9-12-24-18)21-13-16-5-7-17(8-6-16)15-22-10-3-1-2-4-11-22/h5-8,18,20H,1-4,9-15H2,(H,21,23)
InChIKeyQNHBVDWZVRCEFZ-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.67
Rot. Bonds5

About N-[[4-(azepan-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide

N-[[4-(azepan-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide (PubChem CID 119867295) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[[4-(azepan-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(azepan-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide
PubChem CID119867295
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-[[4-(azepan-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide
SMILESO=C(NCc1ccc(CN2CCCCCC2)cc1)C1CNCCO1
InChIInChI=1S/C19H29N3O2/c23-19(18-14-20-9-12-24-18)21-13-16-5-7-17(8-6-16)15-22-10-3-1-2-4-11-22/h5-8,18,20H,1-4,9-15H2,(H,21,23)
InChIKeyQNHBVDWZVRCEFZ-UHFFFAOYSA-N
XLogP1.67
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(azepan-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide
CID 119869679
N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide
CID 119727025
N-[[4-(methoxymethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119718146
N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)morpholine-2-carboxamide;hydrochloride
CID 154900926
N-[[4-(ethoxymethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119718295
(2S)-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]morpholine-2-carboxamide
CID 124704379
2-methyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 18119455
N-(1-benzylpiperidin-4-yl)morpholine-2-carboxamide
CID 119827619
N-[(4-propoxyphenyl)methyl]morpholine-2-carboxamide
CID 119714378
N-[[4-(2-methylpropanoylamino)phenyl]methyl]morpholine-2-carboxamide
CID 119701239
N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]oxolane-2-carboxamide
CID 42891527
N-[[3-(pyrrolidine-1-carbonylamino)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119743730

Frequently Asked Questions

What is the IUPAC name of N-[[4-(azepan-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide?
The IUPAC name of N-[[4-(azepan-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide (CID 119867295) is N-[[4-(azepan-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[[4-(azepan-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide?
The canonical SMILES for N-[[4-(azepan-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide is O=C(NCc1ccc(CN2CCCCCC2)cc1)C1CNCCO1.
What is the InChIKey of N-[[4-(azepan-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide?
The InChIKey is QNHBVDWZVRCEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c23-19(18-14-20-9-12-24-18)21-13-16-5-7-17(8-6-16)15-22-10-3-1-2-4-11-22/h5-8,18,20H,1-4,9-15H2,(H,21,23).
What are the key properties of N-[[4-(azepan-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide?
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(azepan-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide is sourced from PubChem (CID 119867295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).