benzyl N-[2-(2-aminonaphthalen-1-yl)-5-cyanophenyl]carbamate

C25H19N3O2 — CID 53343891

IUPACbenzyl N-[2-(2-aminonaphthalen-1-yl)-5-cyanophenyl]carbamate
SMILESN#Cc1ccc(-c2c(N)ccc3ccccc23)c(NC(=O)OCc2ccccc2)c1
InChIInChI=1S/C25H19N3O2/c26-15-18-10-12-21(24-20-9-5-4-8-19(20)11-13-22(24)27)23(14-18)28-25(29)30-16-17-6-2-1-3-7-17/h1-14H,16,27H2,(H,28,29)
InChIKeyYWYQSQIHGYCOAX-UHFFFAOYSA-N
MW393.45 g/mol
LogP5.71
Rot. Bonds4

About benzyl N-[2-(2-aminonaphthalen-1-yl)-5-cyanophenyl]carbamate

benzyl N-[2-(2-aminonaphthalen-1-yl)-5-cyanophenyl]carbamate (PubChem CID 53343891) has the molecular formula C25H19N3O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is benzyl N-[2-(2-aminonaphthalen-1-yl)-5-cyanophenyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-(2-aminonaphthalen-1-yl)-5-cyanophenyl]carbamate
PubChem CID53343891
Molecular FormulaC25H19N3O2
Molecular Weight393.45 g/mol
Exact Mass393.15
IUPAC Namebenzyl N-[2-(2-aminonaphthalen-1-yl)-5-cyanophenyl]carbamate
SMILESN#Cc1ccc(-c2c(N)ccc3ccccc23)c(NC(=O)OCc2ccccc2)c1
InChIInChI=1S/C25H19N3O2/c26-15-18-10-12-21(24-20-9-5-4-8-19(20)11-13-22(24)27)23(14-18)28-25(29)30-16-17-6-2-1-3-7-17/h1-14H,16,27H2,(H,28,29)
InChIKeyYWYQSQIHGYCOAX-UHFFFAOYSA-N
XLogP5.71
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.45
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[2-(2-aminonaphthalen-1-yl)-4-methoxyphenyl]carbamate
CID 53343709
benzyl N-[2-(2-aminonaphthalen-1-yl)-3-methoxyphenyl]carbamate
CID 53344092
benzyl N-(4-cyanophenyl)carbamate
CID 4935649
benzyl N-[2-(2-aminophenyl)phenyl]carbamate
CID 68787776
benzyl N-(3-methoxynaphthalen-1-yl)carbamate
CID 23023062
benzyl N-[1-[2-[(4-cyanophenyl)methylamino]-2-oxoethyl]-2-oxo-3-pyridinyl]carbamate
CID 139925093
methyl 2-(2-amino-5-cyanoanilino)-2-phenylacetate
CID 104711840
benzyl N-[(3-cyanophenyl)sulfamoyl]carbamate
CID 69114384
benzyl N-(4-amino-3-methoxyphenyl)carbamate
CID 154476991
2-(phenylmethoxycarbonylamino)ethyl N-(7-benzylnaphthalen-1-yl)carbamate
CID 146590877
methyl 3-amino-4-(phenylmethoxycarbonylamino)benzoate
CID 146261827
5-amino-2-chloro-4-(phenylmethoxycarbonylamino)benzoic acid
CID 20636250

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-(2-aminonaphthalen-1-yl)-5-cyanophenyl]carbamate?
The IUPAC name of benzyl N-[2-(2-aminonaphthalen-1-yl)-5-cyanophenyl]carbamate (CID 53343891) is benzyl N-[2-(2-aminonaphthalen-1-yl)-5-cyanophenyl]carbamate.
What is the SMILES notation for benzyl N-[2-(2-aminonaphthalen-1-yl)-5-cyanophenyl]carbamate?
The canonical SMILES for benzyl N-[2-(2-aminonaphthalen-1-yl)-5-cyanophenyl]carbamate is N#Cc1ccc(-c2c(N)ccc3ccccc23)c(NC(=O)OCc2ccccc2)c1.
What is the InChIKey of benzyl N-[2-(2-aminonaphthalen-1-yl)-5-cyanophenyl]carbamate?
The InChIKey is YWYQSQIHGYCOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O2/c26-15-18-10-12-21(24-20-9-5-4-8-19(20)11-13-22(24)27)23(14-18)28-25(29)30-16-17-6-2-1-3-7-17/h1-14H,16,27H2,(H,28,29).
What are the key properties of benzyl N-[2-(2-aminonaphthalen-1-yl)-5-cyanophenyl]carbamate?
benzyl N-[2-(2-aminonaphthalen-1-yl)-5-cyanophenyl]carbamate has a molecular weight of 393.45 g/mol, XLogP of 5.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(2-aminonaphthalen-1-yl)-5-cyanophenyl]carbamate is sourced from PubChem (CID 53343891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).