N-[2-(azepan-1-yl)-2-phenylethyl]-2-morpholin-4-ylacetamide

C20H31N3O2 — CID 118792707

IUPACN-[2-(azepan-1-yl)-2-phenylethyl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)NCC(c1ccccc1)N1CCCCCC1
InChIInChI=1S/C20H31N3O2/c24-20(17-22-12-14-25-15-13-22)21-16-19(18-8-4-3-5-9-18)23-10-6-1-2-7-11-23/h3-5,8-9,19H,1-2,6-7,10-17H2,(H,21,24)
InChIKeyLFYLASZVLKXKAM-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.05
Rot. Bonds6

About N-[2-(azepan-1-yl)-2-phenylethyl]-2-morpholin-4-ylacetamide

N-[2-(azepan-1-yl)-2-phenylethyl]-2-morpholin-4-ylacetamide (PubChem CID 118792707) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)-2-phenylethyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)-2-phenylethyl]-2-morpholin-4-ylacetamide
PubChem CID118792707
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC NameN-[2-(azepan-1-yl)-2-phenylethyl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)NCC(c1ccccc1)N1CCCCCC1
InChIInChI=1S/C20H31N3O2/c24-20(17-22-12-14-25-15-13-22)21-16-19(18-8-4-3-5-9-18)23-10-6-1-2-7-11-23/h3-5,8-9,19H,1-2,6-7,10-17H2,(H,21,24)
InChIKeyLFYLASZVLKXKAM-UHFFFAOYSA-N
XLogP2.05
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-oxo-1,3-oxazolidin-3-yl)-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]acetamide
CID 99932037
N-[2-(azepan-1-yl)-2-phenylethyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide;formic acid
CID 154907167
2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(2S)-2-morpholin-4-yl-2-phenylethyl]acetamide
CID 100898116
N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-morpholin-4-ylpropanamide
CID 125157433
N-(2-morpholin-4-yl-2-phenylethyl)cyclopentanecarboxamide
CID 42948396
N-(2-morpholin-4-yl-2-phenylethyl)cyclobutanecarboxamide
CID 42948395
N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]-2-phenylacetamide
CID 34952082
2-(4-benzylpiperazin-1-yl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 43061248
1-amino-N-(2-morpholin-4-yl-2-phenylethyl)cyclohexane-1-carboxamide
CID 119853255
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-(propan-2-ylamino)acetamide
CID 61249970
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 51175141
3-acetamido-N-(2-phenyl-2-piperidin-1-ylethyl)propanamide
CID 110355080

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)-2-phenylethyl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[2-(azepan-1-yl)-2-phenylethyl]-2-morpholin-4-ylacetamide (CID 118792707) is N-[2-(azepan-1-yl)-2-phenylethyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[2-(azepan-1-yl)-2-phenylethyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[2-(azepan-1-yl)-2-phenylethyl]-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)NCC(c1ccccc1)N1CCCCCC1.
What is the InChIKey of N-[2-(azepan-1-yl)-2-phenylethyl]-2-morpholin-4-ylacetamide?
The InChIKey is LFYLASZVLKXKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c24-20(17-22-12-14-25-15-13-22)21-16-19(18-8-4-3-5-9-18)23-10-6-1-2-7-11-23/h3-5,8-9,19H,1-2,6-7,10-17H2,(H,21,24).
What are the key properties of N-[2-(azepan-1-yl)-2-phenylethyl]-2-morpholin-4-ylacetamide?
N-[2-(azepan-1-yl)-2-phenylethyl]-2-morpholin-4-ylacetamide has a molecular weight of 345.49 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)-2-phenylethyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 118792707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).