N'-(2-aminobenzoyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide

C21H23N3O3 — CID 108511270

IUPACN'-(2-aminobenzoyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide
SMILESCC(NC(=O)C(=O)NC(=O)c1ccccc1N)c1ccc2c(c1)CCCC2
InChIInChI=1S/C21H23N3O3/c1-13(15-11-10-14-6-2-3-7-16(14)12-15)23-20(26)21(27)24-19(25)17-8-4-5-9-18(17)22/h4-5,8-13H,2-3,6-7,22H2,1H3,(H,23,26)(H,24,25,27)
InChIKeyBUJBXAHFJFUIKM-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.28
Rot. Bonds3

About N'-(2-aminobenzoyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide

N'-(2-aminobenzoyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide (PubChem CID 108511270) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N'-(2-aminobenzoyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(2-aminobenzoyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide
PubChem CID108511270
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN'-(2-aminobenzoyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide
SMILESCC(NC(=O)C(=O)NC(=O)c1ccccc1N)c1ccc2c(c1)CCCC2
InChIInChI=1S/C21H23N3O3/c1-13(15-11-10-14-6-2-3-7-16(14)12-15)23-20(26)21(27)24-19(25)17-8-4-5-9-18(17)22/h4-5,8-13H,2-3,6-7,22H2,1H3,(H,23,26)(H,24,25,27)
InChIKeyBUJBXAHFJFUIKM-UHFFFAOYSA-N
XLogP2.28
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromophenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide
CID 108511313
2-methylsulfanyl-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 99644786
3-(2-aminophenyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 120608273
2-methylsulfonyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 24688126
N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-methylsulfanylbenzamide
CID 94487723
(2R)-2-amino-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 54995740
2,4,5-trimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 133191038
(2S)-2-pyrrol-1-yl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 97020916
N-(4-tert-butylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide
CID 108511276
N-(2,3-dimethylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide
CID 108511155
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 133190853
N-[[3-(aminomethyl)phenyl]methyl]-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide
CID 108511179

Frequently Asked Questions

What is the IUPAC name of N'-(2-aminobenzoyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide?
The IUPAC name of N'-(2-aminobenzoyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide (CID 108511270) is N'-(2-aminobenzoyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide.
What is the SMILES notation for N'-(2-aminobenzoyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide?
The canonical SMILES for N'-(2-aminobenzoyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide is CC(NC(=O)C(=O)NC(=O)c1ccccc1N)c1ccc2c(c1)CCCC2.
What is the InChIKey of N'-(2-aminobenzoyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide?
The InChIKey is BUJBXAHFJFUIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-13(15-11-10-14-6-2-3-7-16(14)12-15)23-20(26)21(27)24-19(25)17-8-4-5-9-18(17)22/h4-5,8-13H,2-3,6-7,22H2,1H3,(H,23,26)(H,24,25,27).
What are the key properties of N'-(2-aminobenzoyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide?
N'-(2-aminobenzoyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide has a molecular weight of 365.43 g/mol, XLogP of 2.28, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminobenzoyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide is sourced from PubChem (CID 108511270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).