N-[4-(cyanomethoxy)phenyl]-2-(cyclopropylmethylamino)acetamide

C14H17N3O2 — CID 61248513

IUPACN-[4-(cyanomethoxy)phenyl]-2-(cyclopropylmethylamino)acetamide
SMILESN#CCOc1ccc(NC(=O)CNCC2CC2)cc1
InChIInChI=1S/C14H17N3O2/c15-7-8-19-13-5-3-12(4-6-13)17-14(18)10-16-9-11-1-2-11/h3-6,11,16H,1-2,8-10H2,(H,17,18)
InChIKeyJZZRVZPWENJARR-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.53
Rot. Bonds7

About N-[4-(cyanomethoxy)phenyl]-2-(cyclopropylmethylamino)acetamide

N-[4-(cyanomethoxy)phenyl]-2-(cyclopropylmethylamino)acetamide (PubChem CID 61248513) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[4-(cyanomethoxy)phenyl]-2-(cyclopropylmethylamino)acetamide.

Molecular Properties

Compound NameN-[4-(cyanomethoxy)phenyl]-2-(cyclopropylmethylamino)acetamide
PubChem CID61248513
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-[4-(cyanomethoxy)phenyl]-2-(cyclopropylmethylamino)acetamide
SMILESN#CCOc1ccc(NC(=O)CNCC2CC2)cc1
InChIInChI=1S/C14H17N3O2/c15-7-8-19-13-5-3-12(4-6-13)17-14(18)10-16-9-11-1-2-11/h3-6,11,16H,1-2,8-10H2,(H,17,18)
InChIKeyJZZRVZPWENJARR-UHFFFAOYSA-N
XLogP1.53
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(cyanomethoxy)phenyl]-2-cyclopentylacetamide
CID 51177132
2-(azetidin-3-yl)-N-[4-(cyanomethoxy)phenyl]acetamide
CID 64610182
2-(cyclopropylmethylamino)-N-(4-propoxyphenyl)acetamide
CID 55060300
2-bromo-N-[4-(cyanomethoxy)phenyl]acetamide
CID 63679924
2-(cyclopropylmethylamino)-N-(4-methylphenyl)acetamide
CID 28566911
2-(cyclopropylmethylamino)-N-(4-phenylmethoxyphenyl)acetamide;hydrochloride
CID 119669315
2-(cyclopropylmethylamino)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]acetamide
CID 119713365
2-(cyclopropylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 60842957
N-[4-(cyanomethoxy)phenyl]cyclooctanecarboxamide
CID 65018856
methyl N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]carbamate
CID 60866405
2-[[4-(cyanomethoxy)phenyl]carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 49277736
2-(cyclopropylmethylamino)-N-[4-(2-hydroxycyclohexyl)oxyphenyl]acetamide;hydrochloride
CID 119793780

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethoxy)phenyl]-2-(cyclopropylmethylamino)acetamide?
The IUPAC name of N-[4-(cyanomethoxy)phenyl]-2-(cyclopropylmethylamino)acetamide (CID 61248513) is N-[4-(cyanomethoxy)phenyl]-2-(cyclopropylmethylamino)acetamide.
What is the SMILES notation for N-[4-(cyanomethoxy)phenyl]-2-(cyclopropylmethylamino)acetamide?
The canonical SMILES for N-[4-(cyanomethoxy)phenyl]-2-(cyclopropylmethylamino)acetamide is N#CCOc1ccc(NC(=O)CNCC2CC2)cc1.
What is the InChIKey of N-[4-(cyanomethoxy)phenyl]-2-(cyclopropylmethylamino)acetamide?
The InChIKey is JZZRVZPWENJARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c15-7-8-19-13-5-3-12(4-6-13)17-14(18)10-16-9-11-1-2-11/h3-6,11,16H,1-2,8-10H2,(H,17,18).
What are the key properties of N-[4-(cyanomethoxy)phenyl]-2-(cyclopropylmethylamino)acetamide?
N-[4-(cyanomethoxy)phenyl]-2-(cyclopropylmethylamino)acetamide has a molecular weight of 259.31 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethoxy)phenyl]-2-(cyclopropylmethylamino)acetamide is sourced from PubChem (CID 61248513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).