N-(4-aminophenyl)-N-[2-(2-methoxyphenyl)ethylcarbamoyl]acetamide

C18H21N3O3 — CID 108899832

IUPACN-(4-aminophenyl)-N-[2-(2-methoxyphenyl)ethylcarbamoyl]acetamide
SMILESCOc1ccccc1CCNC(=O)N(C(C)=O)c1ccc(N)cc1
InChIInChI=1S/C18H21N3O3/c1-13(22)21(16-9-7-15(19)8-10-16)18(23)20-12-11-14-5-3-4-6-17(14)24-2/h3-10H,11-12,19H2,1-2H3,(H,20,23)
InChIKeyCQVDECCQFLLYOC-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.58
Rot. Bonds5

About N-(4-aminophenyl)-N-[2-(2-methoxyphenyl)ethylcarbamoyl]acetamide

N-(4-aminophenyl)-N-[2-(2-methoxyphenyl)ethylcarbamoyl]acetamide (PubChem CID 108899832) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-(4-aminophenyl)-N-[2-(2-methoxyphenyl)ethylcarbamoyl]acetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-N-[2-(2-methoxyphenyl)ethylcarbamoyl]acetamide
PubChem CID108899832
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-(4-aminophenyl)-N-[2-(2-methoxyphenyl)ethylcarbamoyl]acetamide
SMILESCOc1ccccc1CCNC(=O)N(C(C)=O)c1ccc(N)cc1
InChIInChI=1S/C18H21N3O3/c1-13(22)21(16-9-7-15(19)8-10-16)18(23)20-12-11-14-5-3-4-6-17(14)24-2/h3-10H,11-12,19H2,1-2H3,(H,20,23)
InChIKeyCQVDECCQFLLYOC-UHFFFAOYSA-N
XLogP2.58
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_K(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-N-[2-(2-methoxyphenyl)ethylcarbamoyl]acetamide
CID 108899927
(2R)-2-amino-N-[2-(2-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119270019
2-(3-aminophenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 28711954
3-(N-acetylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 113123377
4-N-[2-(2-methoxyphenyl)ethyl]-4-N-methylbenzene-1,4-diamine
CID 117041340
N-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 15179102
N'-[2-(dimethylamino)ethyl]-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 44996174
N-[4-[2-(2-methoxyphenyl)ethylcarbamoylamino]butyl]acetamide
CID 110609793
N'-[4-(dimethylamino)phenyl]-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 7585527
2-[acetyl(3-phenylpropyl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113165813
N'-(2-methoxyethyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 44996618
2-amino-N-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]acetamide
CID 103629773

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-N-[2-(2-methoxyphenyl)ethylcarbamoyl]acetamide?
The IUPAC name of N-(4-aminophenyl)-N-[2-(2-methoxyphenyl)ethylcarbamoyl]acetamide (CID 108899832) is N-(4-aminophenyl)-N-[2-(2-methoxyphenyl)ethylcarbamoyl]acetamide.
What is the SMILES notation for N-(4-aminophenyl)-N-[2-(2-methoxyphenyl)ethylcarbamoyl]acetamide?
The canonical SMILES for N-(4-aminophenyl)-N-[2-(2-methoxyphenyl)ethylcarbamoyl]acetamide is COc1ccccc1CCNC(=O)N(C(C)=O)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-N-[2-(2-methoxyphenyl)ethylcarbamoyl]acetamide?
The InChIKey is CQVDECCQFLLYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-13(22)21(16-9-7-15(19)8-10-16)18(23)20-12-11-14-5-3-4-6-17(14)24-2/h3-10H,11-12,19H2,1-2H3,(H,20,23).
What are the key properties of N-(4-aminophenyl)-N-[2-(2-methoxyphenyl)ethylcarbamoyl]acetamide?
N-(4-aminophenyl)-N-[2-(2-methoxyphenyl)ethylcarbamoyl]acetamide has a molecular weight of 327.38 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-N-[2-(2-methoxyphenyl)ethylcarbamoyl]acetamide is sourced from PubChem (CID 108899832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).