N,N-bis(2-cyanoethyl)-2-(2-phenoxyanilino)acetamide

C20H20N4O2 — CID 78822833

IUPACN,N-bis(2-cyanoethyl)-2-(2-phenoxyanilino)acetamide
SMILESN#CCCN(CCC#N)C(=O)CNc1ccccc1Oc1ccccc1
InChIInChI=1S/C20H20N4O2/c21-12-6-14-24(15-7-13-22)20(25)16-23-18-10-4-5-11-19(18)26-17-8-2-1-3-9-17/h1-5,8-11,23H,6-7,14-16H2
InChIKeyHHCOYVWMPKWKLV-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.55
Rot. Bonds9

About N,N-bis(2-cyanoethyl)-2-(2-phenoxyanilino)acetamide

N,N-bis(2-cyanoethyl)-2-(2-phenoxyanilino)acetamide (PubChem CID 78822833) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N,N-bis(2-cyanoethyl)-2-(2-phenoxyanilino)acetamide.

Molecular Properties

Compound NameN,N-bis(2-cyanoethyl)-2-(2-phenoxyanilino)acetamide
PubChem CID78822833
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN,N-bis(2-cyanoethyl)-2-(2-phenoxyanilino)acetamide
SMILESN#CCCN(CCC#N)C(=O)CNc1ccccc1Oc1ccccc1
InChIInChI=1S/C20H20N4O2/c21-12-6-14-24(15-7-13-22)20(25)16-23-18-10-4-5-11-19(18)26-17-8-2-1-3-9-17/h1-5,8-11,23H,6-7,14-16H2
InChIKeyHHCOYVWMPKWKLV-UHFFFAOYSA-N
XLogP3.55
TPSA89.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-ethyl-2-(2-phenoxyanilino)acetamide
CID 108999057
N-(1-cyanocyclohexyl)-N-methyl-2-(2-phenoxyanilino)acetamide
CID 32899810
2-(2-phenoxyanilino)-N-prop-2-enylacetamide
CID 108992999
N,N-bis(2-cyanoethyl)-2-(2-phenoxyethoxy)acetamide
CID 51095519
2-(2-chloro-4-methylanilino)-N,N-bis(2-cyanoethyl)acetamide
CID 78821492
N,N-bis(2-cyanoethyl)-2-(5-cyano-2-methylanilino)acetamide
CID 71919291
N,N-bis(2-cyanoethyl)-2-(3-methylanilino)acetamide
CID 78821946
methyl 2-[[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]amino]-2-phenylacetate
CID 122157295
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-phenoxybenzoate
CID 2435467
N-(2-methoxyphenyl)-2-(2-phenoxyanilino)acetamide
CID 7922855
N-but-3-ynyl-2-phenoxyaniline
CID 63657464
3-[benzyl(cyanomethyl)amino]-N-(2-phenoxyphenyl)propanamide
CID 56525379

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-cyanoethyl)-2-(2-phenoxyanilino)acetamide?
The IUPAC name of N,N-bis(2-cyanoethyl)-2-(2-phenoxyanilino)acetamide (CID 78822833) is N,N-bis(2-cyanoethyl)-2-(2-phenoxyanilino)acetamide.
What is the SMILES notation for N,N-bis(2-cyanoethyl)-2-(2-phenoxyanilino)acetamide?
The canonical SMILES for N,N-bis(2-cyanoethyl)-2-(2-phenoxyanilino)acetamide is N#CCCN(CCC#N)C(=O)CNc1ccccc1Oc1ccccc1.
What is the InChIKey of N,N-bis(2-cyanoethyl)-2-(2-phenoxyanilino)acetamide?
The InChIKey is HHCOYVWMPKWKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c21-12-6-14-24(15-7-13-22)20(25)16-23-18-10-4-5-11-19(18)26-17-8-2-1-3-9-17/h1-5,8-11,23H,6-7,14-16H2.
What are the key properties of N,N-bis(2-cyanoethyl)-2-(2-phenoxyanilino)acetamide?
N,N-bis(2-cyanoethyl)-2-(2-phenoxyanilino)acetamide has a molecular weight of 348.41 g/mol, XLogP of 3.55, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-cyanoethyl)-2-(2-phenoxyanilino)acetamide is sourced from PubChem (CID 78822833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).