N-[3-[1-[[1-(2-methoxyethyl)cyclopropyl]methylamino]ethyl]phenyl]acetamide

C17H26N2O2 — CID 103903900

IUPACN-[3-[1-[[1-(2-methoxyethyl)cyclopropyl]methylamino]ethyl]phenyl]acetamide
SMILESCOCCC1(CNC(C)c2cccc(NC(C)=O)c2)CC1
InChIInChI=1S/C17H26N2O2/c1-13(18-12-17(7-8-17)9-10-21-3)15-5-4-6-16(11-15)19-14(2)20/h4-6,11,13,18H,7-10,12H2,1-3H3,(H,19,20)
InChIKeyVNHPWVYQVHGJIZ-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.11
Rot. Bonds8

About N-[3-[1-[[1-(2-methoxyethyl)cyclopropyl]methylamino]ethyl]phenyl]acetamide

N-[3-[1-[[1-(2-methoxyethyl)cyclopropyl]methylamino]ethyl]phenyl]acetamide (PubChem CID 103903900) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[3-[1-[[1-(2-methoxyethyl)cyclopropyl]methylamino]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[[1-(2-methoxyethyl)cyclopropyl]methylamino]ethyl]phenyl]acetamide
PubChem CID103903900
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[3-[1-[[1-(2-methoxyethyl)cyclopropyl]methylamino]ethyl]phenyl]acetamide
SMILESCOCCC1(CNC(C)c2cccc(NC(C)=O)c2)CC1
InChIInChI=1S/C17H26N2O2/c1-13(18-12-17(7-8-17)9-10-21-3)15-5-4-6-16(11-15)19-14(2)20/h4-6,11,13,18H,7-10,12H2,1-3H3,(H,19,20)
InChIKeyVNHPWVYQVHGJIZ-UHFFFAOYSA-N
XLogP3.11
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[[1-(2-methoxyethyl)cyclopropyl]methylamino]ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[[1-(2-methoxyethyl)cyclopropyl]methylamino]ethyl]phenyl]acetamide (CID 103903900) is N-[3-[1-[[1-(2-methoxyethyl)cyclopropyl]methylamino]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[[1-(2-methoxyethyl)cyclopropyl]methylamino]ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[[1-(2-methoxyethyl)cyclopropyl]methylamino]ethyl]phenyl]acetamide is COCCC1(CNC(C)c2cccc(NC(C)=O)c2)CC1.
What is the InChIKey of N-[3-[1-[[1-(2-methoxyethyl)cyclopropyl]methylamino]ethyl]phenyl]acetamide?
The InChIKey is VNHPWVYQVHGJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13(18-12-17(7-8-17)9-10-21-3)15-5-4-6-16(11-15)19-14(2)20/h4-6,11,13,18H,7-10,12H2,1-3H3,(H,19,20).
What are the key properties of N-[3-[1-[[1-(2-methoxyethyl)cyclopropyl]methylamino]ethyl]phenyl]acetamide?
N-[3-[1-[[1-(2-methoxyethyl)cyclopropyl]methylamino]ethyl]phenyl]acetamide has a molecular weight of 290.41 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[[1-(2-methoxyethyl)cyclopropyl]methylamino]ethyl]phenyl]acetamide is sourced from PubChem (CID 103903900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).