2-(1,3-dioxan-2-yl)-N-[[1-[[(1R)-1-phenylethyl]amino]cyclopentyl]methyl]acetamide

C20H30N2O3 — CID 124625809

IUPAC2-(1,3-dioxan-2-yl)-N-[[1-[[(1R)-1-phenylethyl]amino]cyclopentyl]methyl]acetamide
SMILESC[C@@H](NC1(CNC(=O)CC2OCCCO2)CCCC1)c1ccccc1
InChIInChI=1S/C20H30N2O3/c1-16(17-8-3-2-4-9-17)22-20(10-5-6-11-20)15-21-18(23)14-19-24-12-7-13-25-19/h2-4,8-9,16,19,22H,5-7,10-15H2,1H3,(H,21,23)/t16-/m1/s1
InChIKeyIOMXPMVVXZPDHM-MRXNPFEDSA-N
MW346.47 g/mol
LogP2.92
Rot. Bonds7

About 2-(1,3-dioxan-2-yl)-N-[[1-[[(1R)-1-phenylethyl]amino]cyclopentyl]methyl]acetamide

2-(1,3-dioxan-2-yl)-N-[[1-[[(1R)-1-phenylethyl]amino]cyclopentyl]methyl]acetamide (PubChem CID 124625809) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-(1,3-dioxan-2-yl)-N-[[1-[[(1R)-1-phenylethyl]amino]cyclopentyl]methyl]acetamide.

Molecular Properties

Compound Name2-(1,3-dioxan-2-yl)-N-[[1-[[(1R)-1-phenylethyl]amino]cyclopentyl]methyl]acetamide
PubChem CID124625809
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name2-(1,3-dioxan-2-yl)-N-[[1-[[(1R)-1-phenylethyl]amino]cyclopentyl]methyl]acetamide
SMILESC[C@@H](NC1(CNC(=O)CC2OCCCO2)CCCC1)c1ccccc1
InChIInChI=1S/C20H30N2O3/c1-16(17-8-3-2-4-9-17)22-20(10-5-6-11-20)15-21-18(23)14-19-24-12-7-13-25-19/h2-4,8-9,16,19,22H,5-7,10-15H2,1H3,(H,21,23)/t16-/m1/s1
InChIKeyIOMXPMVVXZPDHM-MRXNPFEDSA-N
XLogP2.92
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(1,3-dioxan-2-yl)-N-[[1-[[(1R)-1-phenylethyl]amino]cyclopentyl]methyl]acetamide with MolForge

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Related Compounds

1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(1-phenylethylamino)cyclopentyl]methyl]urea
CID 111438810
4-amino-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]butanamide
CID 119884570
N-[[1-(1-phenylethylamino)cyclopentyl]methyl]morpholine-2-carboxamide
CID 119884564
3-(2-aminophenyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]propanamide
CID 120613142
N-[3-oxo-3-[[4-(1-phenylethylamino)oxan-4-yl]methylamino]propyl]cyclohexanecarboxamide
CID 86947103
N-[[4-[[(1S)-1-phenylethyl]amino]oxan-4-yl]methyl]thiophene-3-carboxamide
CID 96540062
N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]thiophene-3-carboxamide
CID 96540063
(2R)-2-amino-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]propanamide;dihydrochloride
CID 119888303
2-amino-3-phenyl-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]propanamide;dihydrochloride
CID 119884525
5-amino-2-methyl-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]benzamide;dihydrochloride
CID 120646718
N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]-2H-triazole-4-carboxamide
CID 96539972
N-[[1-[[(1S)-1-phenylethyl]amino]cyclopentyl]methyl]methanesulfonamide
CID 95331020

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxan-2-yl)-N-[[1-[[(1R)-1-phenylethyl]amino]cyclopentyl]methyl]acetamide?
The IUPAC name of 2-(1,3-dioxan-2-yl)-N-[[1-[[(1R)-1-phenylethyl]amino]cyclopentyl]methyl]acetamide (CID 124625809) is 2-(1,3-dioxan-2-yl)-N-[[1-[[(1R)-1-phenylethyl]amino]cyclopentyl]methyl]acetamide.
What is the SMILES notation for 2-(1,3-dioxan-2-yl)-N-[[1-[[(1R)-1-phenylethyl]amino]cyclopentyl]methyl]acetamide?
The canonical SMILES for 2-(1,3-dioxan-2-yl)-N-[[1-[[(1R)-1-phenylethyl]amino]cyclopentyl]methyl]acetamide is C[C@@H](NC1(CNC(=O)CC2OCCCO2)CCCC1)c1ccccc1.
What is the InChIKey of 2-(1,3-dioxan-2-yl)-N-[[1-[[(1R)-1-phenylethyl]amino]cyclopentyl]methyl]acetamide?
The InChIKey is IOMXPMVVXZPDHM-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-16(17-8-3-2-4-9-17)22-20(10-5-6-11-20)15-21-18(23)14-19-24-12-7-13-25-19/h2-4,8-9,16,19,22H,5-7,10-15H2,1H3,(H,21,23)/t16-/m1/s1.
What are the key properties of 2-(1,3-dioxan-2-yl)-N-[[1-[[(1R)-1-phenylethyl]amino]cyclopentyl]methyl]acetamide?
2-(1,3-dioxan-2-yl)-N-[[1-[[(1R)-1-phenylethyl]amino]cyclopentyl]methyl]acetamide has a molecular weight of 346.47 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxan-2-yl)-N-[[1-[[(1R)-1-phenylethyl]amino]cyclopentyl]methyl]acetamide is sourced from PubChem (CID 124625809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).