N-[3-[[1-(cyanomethyl)cyclopropyl]methylamino]phenyl]acetamide

C14H17N3O — CID 65479559

IUPACN-[3-[[1-(cyanomethyl)cyclopropyl]methylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NCC2(CC#N)CC2)c1
InChIInChI=1S/C14H17N3O/c1-11(18)17-13-4-2-3-12(9-13)16-10-14(5-6-14)7-8-15/h2-4,9,16H,5-7,10H2,1H3,(H,17,18)
InChIKeyIQOZLUCXMKRLGG-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.75
Rot. Bonds5

About N-[3-[[1-(cyanomethyl)cyclopropyl]methylamino]phenyl]acetamide

N-[3-[[1-(cyanomethyl)cyclopropyl]methylamino]phenyl]acetamide (PubChem CID 65479559) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[3-[[1-(cyanomethyl)cyclopropyl]methylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[1-(cyanomethyl)cyclopropyl]methylamino]phenyl]acetamide
PubChem CID65479559
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-[3-[[1-(cyanomethyl)cyclopropyl]methylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NCC2(CC#N)CC2)c1
InChIInChI=1S/C14H17N3O/c1-11(18)17-13-4-2-3-12(9-13)16-10-14(5-6-14)7-8-15/h2-4,9,16H,5-7,10H2,1H3,(H,17,18)
InChIKeyIQOZLUCXMKRLGG-UHFFFAOYSA-N
XLogP2.75
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 65481732
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CID 60898504
2-[1-[(4-ethylanilino)methyl]cyclopropyl]acetonitrile
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2-[1-[(3-chloro-4-fluoroanilino)methyl]cyclopropyl]acetonitrile
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6-[[1-(cyanomethyl)cyclopropyl]methylamino]pyridine-2-carboxylic acid
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2-[1-[(3,4,5-trifluoroanilino)methyl]cyclopropyl]acetonitrile
CID 65498604
N-[3-(1-cyanopropan-2-ylamino)phenyl]acetamide
CID 60914306
[1-(3-acetamidoanilino)-4-cyanobutan-2-yl] acetate
CID 175146836
N-[3-(cyanomethoxy)phenyl]acetamide
CID 43093084
N-[3-[2-(2-oxoimidazolidin-1-yl)ethylamino]phenyl]acetamide
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CID 115652476

Frequently Asked Questions

What is the IUPAC name of N-[3-[[1-(cyanomethyl)cyclopropyl]methylamino]phenyl]acetamide?
The IUPAC name of N-[3-[[1-(cyanomethyl)cyclopropyl]methylamino]phenyl]acetamide (CID 65479559) is N-[3-[[1-(cyanomethyl)cyclopropyl]methylamino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[1-(cyanomethyl)cyclopropyl]methylamino]phenyl]acetamide?
The canonical SMILES for N-[3-[[1-(cyanomethyl)cyclopropyl]methylamino]phenyl]acetamide is CC(=O)Nc1cccc(NCC2(CC#N)CC2)c1.
What is the InChIKey of N-[3-[[1-(cyanomethyl)cyclopropyl]methylamino]phenyl]acetamide?
The InChIKey is IQOZLUCXMKRLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-11(18)17-13-4-2-3-12(9-13)16-10-14(5-6-14)7-8-15/h2-4,9,16H,5-7,10H2,1H3,(H,17,18).
What are the key properties of N-[3-[[1-(cyanomethyl)cyclopropyl]methylamino]phenyl]acetamide?
N-[3-[[1-(cyanomethyl)cyclopropyl]methylamino]phenyl]acetamide has a molecular weight of 243.31 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[1-(cyanomethyl)cyclopropyl]methylamino]phenyl]acetamide is sourced from PubChem (CID 65479559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).