N-[3-[1-[(2,2-dimethylcyclopropyl)methylamino]ethyl]phenyl]acetamide

C16H24N2O — CID 103902115

IUPACN-[3-[1-[(2,2-dimethylcyclopropyl)methylamino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)NCC2CC2(C)C)c1
InChIInChI=1S/C16H24N2O/c1-11(17-10-14-9-16(14,3)4)13-6-5-7-15(8-13)18-12(2)19/h5-8,11,14,17H,9-10H2,1-4H3,(H,18,19)
InChIKeyRDJYJBUYPVRGKH-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.34
Rot. Bonds5

About N-[3-[1-[(2,2-dimethylcyclopropyl)methylamino]ethyl]phenyl]acetamide

N-[3-[1-[(2,2-dimethylcyclopropyl)methylamino]ethyl]phenyl]acetamide (PubChem CID 103902115) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[3-[1-[(2,2-dimethylcyclopropyl)methylamino]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[(2,2-dimethylcyclopropyl)methylamino]ethyl]phenyl]acetamide
PubChem CID103902115
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[3-[1-[(2,2-dimethylcyclopropyl)methylamino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)NCC2CC2(C)C)c1
InChIInChI=1S/C16H24N2O/c1-11(17-10-14-9-16(14,3)4)13-6-5-7-15(8-13)18-12(2)19/h5-8,11,14,17H,9-10H2,1-4H3,(H,18,19)
InChIKeyRDJYJBUYPVRGKH-UHFFFAOYSA-N
XLogP3.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[1-(pyrrolidin-2-ylmethylamino)ethyl]phenyl]acetamide
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N-[3-[1-(1,4-diazabicyclo[2.2.2]octan-2-ylmethylamino)ethyl]phenyl]acetamide
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N-[3-[1-(but-2-ynylamino)ethyl]phenyl]acetamide
CID 62309945
N-[3-[1-(5-hydroxypentylamino)ethyl]phenyl]acetamide
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N-[3-[1-[[1-(2-methoxyethyl)cyclopropyl]methylamino]ethyl]phenyl]acetamide
CID 103903900
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
N-[3-[1-(2-hydroxybutylamino)ethyl]phenyl]acetamide
CID 54880370
N-[3-[1-[(2-hydroxy-4-methylpentyl)amino]ethyl]phenyl]acetamide
CID 103779662
2-[1-[(2,2-dimethylcyclopropyl)methylamino]ethyl]benzene-1,3-diol
CID 114107662
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2-[1-(3-acetamidophenyl)ethylamino]-N-carbamoylacetamide
CID 60979755

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(2,2-dimethylcyclopropyl)methylamino]ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[(2,2-dimethylcyclopropyl)methylamino]ethyl]phenyl]acetamide (CID 103902115) is N-[3-[1-[(2,2-dimethylcyclopropyl)methylamino]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[(2,2-dimethylcyclopropyl)methylamino]ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[(2,2-dimethylcyclopropyl)methylamino]ethyl]phenyl]acetamide is CC(=O)Nc1cccc(C(C)NCC2CC2(C)C)c1.
What is the InChIKey of N-[3-[1-[(2,2-dimethylcyclopropyl)methylamino]ethyl]phenyl]acetamide?
The InChIKey is RDJYJBUYPVRGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11(17-10-14-9-16(14,3)4)13-6-5-7-15(8-13)18-12(2)19/h5-8,11,14,17H,9-10H2,1-4H3,(H,18,19).
What are the key properties of N-[3-[1-[(2,2-dimethylcyclopropyl)methylamino]ethyl]phenyl]acetamide?
N-[3-[1-[(2,2-dimethylcyclopropyl)methylamino]ethyl]phenyl]acetamide has a molecular weight of 260.38 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(2,2-dimethylcyclopropyl)methylamino]ethyl]phenyl]acetamide is sourced from PubChem (CID 103902115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).