N-[[1-(dimethylamino)cycloheptyl]methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide

C22H32N4O2 — CID 18165181

IUPACN-[[1-(dimethylamino)cycloheptyl]methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCc1ccc(-c2nnc(CCC(=O)NCC3(N(C)C)CCCCCC3)o2)cc1
InChIInChI=1S/C22H32N4O2/c1-17-8-10-18(11-9-17)21-25-24-20(28-21)13-12-19(27)23-16-22(26(2)3)14-6-4-5-7-15-22/h8-11H,4-7,12-16H2,1-3H3,(H,23,27)
InChIKeyDXUYHGQZUWHEBX-UHFFFAOYSA-N
MW384.52 g/mol
LogP3.75
Rot. Bonds7

About N-[[1-(dimethylamino)cycloheptyl]methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide

N-[[1-(dimethylamino)cycloheptyl]methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 18165181) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cycloheptyl]methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cycloheptyl]methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID18165181
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC NameN-[[1-(dimethylamino)cycloheptyl]methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCc1ccc(-c2nnc(CCC(=O)NCC3(N(C)C)CCCCCC3)o2)cc1
InChIInChI=1S/C22H32N4O2/c1-17-8-10-18(11-9-17)21-25-24-20(28-21)13-12-19(27)23-16-22(26(2)3)14-6-4-5-7-15-22/h8-11H,4-7,12-16H2,1-3H3,(H,23,27)
InChIKeyDXUYHGQZUWHEBX-UHFFFAOYSA-N
XLogP3.75
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-hydroxycyclopentyl)methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 111332905
N-cycloheptyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 9082261
N,N-dimethyl-4-[[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]methyl]benzamide
CID 46541686
N-(1,1-dioxothiolan-3-yl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 18109683
N-[(1R,2R)-2-methylcyclohexyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 9084484
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 8938536
N-[3-(cyclopropylmethoxy)propyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 18120975
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(4-fluorophenyl)propanamide
CID 71944374
3-(4-chlorophenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]propanamide
CID 24647173
N-[4-(diethylamino)phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 55412214
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 18104453
N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propanamide
CID 110321394

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cycloheptyl]methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of N-[[1-(dimethylamino)cycloheptyl]methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide (CID 18165181) is N-[[1-(dimethylamino)cycloheptyl]methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for N-[[1-(dimethylamino)cycloheptyl]methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for N-[[1-(dimethylamino)cycloheptyl]methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide is Cc1ccc(-c2nnc(CCC(=O)NCC3(N(C)C)CCCCCC3)o2)cc1.
What is the InChIKey of N-[[1-(dimethylamino)cycloheptyl]methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is DXUYHGQZUWHEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-17-8-10-18(11-9-17)21-25-24-20(28-21)13-12-19(27)23-16-22(26(2)3)14-6-4-5-7-15-22/h8-11H,4-7,12-16H2,1-3H3,(H,23,27).
What are the key properties of N-[[1-(dimethylamino)cycloheptyl]methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
N-[[1-(dimethylamino)cycloheptyl]methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 384.52 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cycloheptyl]methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 18165181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).